Gulea, Mihaela

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orcid::0000-0002-2945-0078
  • Gulea, Mihaela (10)
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Crystallographic Information for the article: Ristić, P., Filipović, N., Blagojević, V. A., Ćirković, J., Holló, B. B., Đokić, V. R., Donnard, M., Gulea, M., Marjanović, I., Klisurić, O. R.,& Todorović, T. R. (2021). 2D and 3D silver-based coordination polymers with thiomorpholine-4-carbonitrile and piperazine-1,4-dicarbonitrile: structure, intermolecular interactions, photocatalysis, and thermal behavior. CrystEngComm, Royal Society of Chemistry (RSC), 23(27), 4799-4815. https://doi.org/10.1039/D1CE00394A

Ristić, Predrag; Filipović, Nenad; Blagojević, Vladimir A.; Ćirković, Jovana; Holló, Berta Barta; Đokić, Veljko R.; Donnard, Morgan; Gulea, Mihaela; Marjanović, Ivana; Klisurić, Olivera R.; Todorović, Tamara R.

(Royal Society of Chemistry (RSC), 2021)

TY  - DATA
AU  - Ristić, Predrag
AU  - Filipović, Nenad
AU  - Blagojević, Vladimir A.
AU  - Ćirković, Jovana
AU  - Holló, Berta Barta
AU  - Đokić, Veljko R.
AU  - Donnard, Morgan
AU  - Gulea, Mihaela
AU  - Marjanović, Ivana
AU  - Klisurić, Olivera R.
AU  - Todorović, Tamara R.
PY  - 2021
UR  - https://dais.sanu.ac.rs/123456789/11761
AB  - Four silver-based coordination polymers, {[Ag(L1)2]NO3}∞ (1), {[Ag(L1)2]ClO4}∞ (2), {[Ag(L2)2]NO3·H2O}∞ (3) and {[Ag(L2)2]ClO4}∞ (4), were synthesized using the thiomorpholine-4-carbonitrile (L1) and piperazine-1,4-dicarbonitrile (L2) ligands. Compounds 1 and 2 are two-dimensional, while 3 and 4 are three-dimensional. L1 and L2 are 1,4-bis-monodentate ligands in all compounds, while Ag(I) ions are four-coordinated in a slightly distorted tetrahedral geometry. Topological analysis in standard representations suggests that underlying nets in 1 and 2 have an sql topology, while 3 and 4 exhibit a dia topology. Thermal analysis shows that 3 loses crystalline water at room temperature, while other compounds show good thermal stability. All compounds show good photocatalytic activity for photocatalytic degradation of the mordant blue 9 dye, with reaction rates in the range 0.029 to 0.061 min−1. The best result was obtained for compound 4, which can be correlated to its largest lattice volume.
PB  - Royal Society of Chemistry (RSC)
T2  - CrystEngComm
T1  - Crystallographic Information for the article: Ristić, P., Filipović, N., Blagojević, V. A., Ćirković, J., Holló, B. B., Đokić, V. R., Donnard, M., Gulea, M., Marjanović, I., Klisurić, O. R.,& Todorović, T. R. (2021). 2D and 3D silver-based coordination polymers with thiomorpholine-4-carbonitrile and piperazine-1,4-dicarbonitrile: structure, intermolecular interactions, photocatalysis, and thermal behavior. CrystEngComm, Royal Society of Chemistry (RSC), 23(27), 4799-4815. https://doi.org/10.1039/D1CE00394A
VL  - 23
IS  - 27
UR  - https://hdl.handle.net/21.15107/rcub_dais_11761
ER  - 
@misc{
author = "Ristić, Predrag and Filipović, Nenad and Blagojević, Vladimir A. and Ćirković, Jovana and Holló, Berta Barta and Đokić, Veljko R. and Donnard, Morgan and Gulea, Mihaela and Marjanović, Ivana and Klisurić, Olivera R. and Todorović, Tamara R.",
year = "2021",
abstract = "Four silver-based coordination polymers, {[Ag(L1)2]NO3}∞ (1), {[Ag(L1)2]ClO4}∞ (2), {[Ag(L2)2]NO3·H2O}∞ (3) and {[Ag(L2)2]ClO4}∞ (4), were synthesized using the thiomorpholine-4-carbonitrile (L1) and piperazine-1,4-dicarbonitrile (L2) ligands. Compounds 1 and 2 are two-dimensional, while 3 and 4 are three-dimensional. L1 and L2 are 1,4-bis-monodentate ligands in all compounds, while Ag(I) ions are four-coordinated in a slightly distorted tetrahedral geometry. Topological analysis in standard representations suggests that underlying nets in 1 and 2 have an sql topology, while 3 and 4 exhibit a dia topology. Thermal analysis shows that 3 loses crystalline water at room temperature, while other compounds show good thermal stability. All compounds show good photocatalytic activity for photocatalytic degradation of the mordant blue 9 dye, with reaction rates in the range 0.029 to 0.061 min−1. The best result was obtained for compound 4, which can be correlated to its largest lattice volume.",
publisher = "Royal Society of Chemistry (RSC)",
journal = "CrystEngComm",
title = "Crystallographic Information for the article: Ristić, P., Filipović, N., Blagojević, V. A., Ćirković, J., Holló, B. B., Đokić, V. R., Donnard, M., Gulea, M., Marjanović, I., Klisurić, O. R.,& Todorović, T. R. (2021). 2D and 3D silver-based coordination polymers with thiomorpholine-4-carbonitrile and piperazine-1,4-dicarbonitrile: structure, intermolecular interactions, photocatalysis, and thermal behavior. CrystEngComm, Royal Society of Chemistry (RSC), 23(27), 4799-4815. https://doi.org/10.1039/D1CE00394A",
volume = "23",
number = "27",
url = "https://hdl.handle.net/21.15107/rcub_dais_11761"
}
Ristić, P., Filipović, N., Blagojević, V. A., Ćirković, J., Holló, B. B., Đokić, V. R., Donnard, M., Gulea, M., Marjanović, I., Klisurić, O. R.,& Todorović, T. R.. (2021). Crystallographic Information for the article: Ristić, P., Filipović, N., Blagojević, V. A., Ćirković, J., Holló, B. B., Đokić, V. R., Donnard, M., Gulea, M., Marjanović, I., Klisurić, O. R.,& Todorović, T. R. (2021). 2D and 3D silver-based coordination polymers with thiomorpholine-4-carbonitrile and piperazine-1,4-dicarbonitrile: structure, intermolecular interactions, photocatalysis, and thermal behavior. CrystEngComm, Royal Society of Chemistry (RSC), 23(27), 4799-4815. https://doi.org/10.1039/D1CE00394A. in CrystEngComm
Royal Society of Chemistry (RSC)., 23(27).
https://hdl.handle.net/21.15107/rcub_dais_11761
Ristić P, Filipović N, Blagojević VA, Ćirković J, Holló BB, Đokić VR, Donnard M, Gulea M, Marjanović I, Klisurić OR, Todorović TR. Crystallographic Information for the article: Ristić, P., Filipović, N., Blagojević, V. A., Ćirković, J., Holló, B. B., Đokić, V. R., Donnard, M., Gulea, M., Marjanović, I., Klisurić, O. R.,& Todorović, T. R. (2021). 2D and 3D silver-based coordination polymers with thiomorpholine-4-carbonitrile and piperazine-1,4-dicarbonitrile: structure, intermolecular interactions, photocatalysis, and thermal behavior. CrystEngComm, Royal Society of Chemistry (RSC), 23(27), 4799-4815. https://doi.org/10.1039/D1CE00394A. in CrystEngComm. 2021;23(27).
https://hdl.handle.net/21.15107/rcub_dais_11761 .
Ristić, Predrag, Filipović, Nenad, Blagojević, Vladimir A., Ćirković, Jovana, Holló, Berta Barta, Đokić, Veljko R., Donnard, Morgan, Gulea, Mihaela, Marjanović, Ivana, Klisurić, Olivera R., Todorović, Tamara R., "Crystallographic Information for the article: Ristić, P., Filipović, N., Blagojević, V. A., Ćirković, J., Holló, B. B., Đokić, V. R., Donnard, M., Gulea, M., Marjanović, I., Klisurić, O. R.,& Todorović, T. R. (2021). 2D and 3D silver-based coordination polymers with thiomorpholine-4-carbonitrile and piperazine-1,4-dicarbonitrile: structure, intermolecular interactions, photocatalysis, and thermal behavior. CrystEngComm, Royal Society of Chemistry (RSC), 23(27), 4799-4815. https://doi.org/10.1039/D1CE00394A" in CrystEngComm, 23, no. 27 (2021),
https://hdl.handle.net/21.15107/rcub_dais_11761 .

Supplementary information for the article: Ristić, P., Filipović, N., Blagojević, V. A., Ćirković, J., Holló, B. B., Đokić, V. R., Donnard, M., Gulea, M., Marjanović, I., Klisurić, O. R.,& Todorović, T. R. (2021). 2D and 3D silver-based coordination polymers with thiomorpholine-4-carbonitrile and piperazine-1,4-dicarbonitrile: structure, intermolecular interactions, photocatalysis, and thermal behavior. CrystEngComm, Royal Society of Chemistry (RSC), 23(27), 4799-4815. https://doi.org/10.1039/D1CE00394A

Ristić, Predrag; Filipović, Nenad; Blagojević, Vladimir A.; Ćirković, Jovana; Holló, Berta Barta; Đokić, Veljko R.; Donnard, Morgan; Gulea, Mihaela; Marjanović, Ivana; Klisurić, Olivera R.; Todorović, Tamara R.

(Royal Society of Chemistry (RSC), 2021)

TY  - DATA
AU  - Ristić, Predrag
AU  - Filipović, Nenad
AU  - Blagojević, Vladimir A.
AU  - Ćirković, Jovana
AU  - Holló, Berta Barta
AU  - Đokić, Veljko R.
AU  - Donnard, Morgan
AU  - Gulea, Mihaela
AU  - Marjanović, Ivana
AU  - Klisurić, Olivera R.
AU  - Todorović, Tamara R.
PY  - 2021
UR  - https://dais.sanu.ac.rs/123456789/11759
AB  - Four silver-based coordination polymers, {[Ag(L1)2]NO3}∞ (1), {[Ag(L1)2]ClO4}∞ (2), {[Ag(L2)2]NO3·H2O}∞ (3) and {[Ag(L2)2]ClO4}∞ (4), were synthesized using the thiomorpholine-4-carbonitrile (L1) and piperazine-1,4-dicarbonitrile (L2) ligands. Compounds 1 and 2 are two-dimensional, while 3 and 4 are three-dimensional. L1 and L2 are 1,4-bis-monodentate ligands in all compounds, while Ag(I) ions are four-coordinated in a slightly distorted tetrahedral geometry. The supplementary ifnormation contains: Selected hydrogen-bond parameters for 3, solid-state optical absorption spectra for crystalline samples of 1–4, plots of concentration ratios against irradiation time for 1–4 and Degussa P25, the changes in photodegradation percentage of MB9 after three successive cycles for 4, IR spectra of pristine and CP 4 after the third cycle and UV–vis spectra for the MB9 solution in the presence of 4 and quenchers. CCDC numbers are 2068533–2068536 for compounds 1–4, respectively.
PB  - Royal Society of Chemistry (RSC)
T2  - CrystEngComm
T1  - Supplementary information for the article: Ristić, P., Filipović, N., Blagojević, V. A., Ćirković, J., Holló, B. B., Đokić, V. R., Donnard, M., Gulea, M., Marjanović, I., Klisurić, O. R.,& Todorović, T. R. (2021). 2D and 3D silver-based coordination polymers with thiomorpholine-4-carbonitrile and piperazine-1,4-dicarbonitrile: structure, intermolecular interactions, photocatalysis, and thermal behavior. CrystEngComm, Royal Society of Chemistry (RSC), 23(27), 4799-4815. https://doi.org/10.1039/D1CE00394A
VL  - 23
IS  - 27
UR  - https://hdl.handle.net/21.15107/rcub_dais_11759
ER  - 
@misc{
author = "Ristić, Predrag and Filipović, Nenad and Blagojević, Vladimir A. and Ćirković, Jovana and Holló, Berta Barta and Đokić, Veljko R. and Donnard, Morgan and Gulea, Mihaela and Marjanović, Ivana and Klisurić, Olivera R. and Todorović, Tamara R.",
year = "2021",
abstract = "Four silver-based coordination polymers, {[Ag(L1)2]NO3}∞ (1), {[Ag(L1)2]ClO4}∞ (2), {[Ag(L2)2]NO3·H2O}∞ (3) and {[Ag(L2)2]ClO4}∞ (4), were synthesized using the thiomorpholine-4-carbonitrile (L1) and piperazine-1,4-dicarbonitrile (L2) ligands. Compounds 1 and 2 are two-dimensional, while 3 and 4 are three-dimensional. L1 and L2 are 1,4-bis-monodentate ligands in all compounds, while Ag(I) ions are four-coordinated in a slightly distorted tetrahedral geometry. The supplementary ifnormation contains: Selected hydrogen-bond parameters for 3, solid-state optical absorption spectra for crystalline samples of 1–4, plots of concentration ratios against irradiation time for 1–4 and Degussa P25, the changes in photodegradation percentage of MB9 after three successive cycles for 4, IR spectra of pristine and CP 4 after the third cycle and UV–vis spectra for the MB9 solution in the presence of 4 and quenchers. CCDC numbers are 2068533–2068536 for compounds 1–4, respectively.",
publisher = "Royal Society of Chemistry (RSC)",
journal = "CrystEngComm",
title = "Supplementary information for the article: Ristić, P., Filipović, N., Blagojević, V. A., Ćirković, J., Holló, B. B., Đokić, V. R., Donnard, M., Gulea, M., Marjanović, I., Klisurić, O. R.,& Todorović, T. R. (2021). 2D and 3D silver-based coordination polymers with thiomorpholine-4-carbonitrile and piperazine-1,4-dicarbonitrile: structure, intermolecular interactions, photocatalysis, and thermal behavior. CrystEngComm, Royal Society of Chemistry (RSC), 23(27), 4799-4815. https://doi.org/10.1039/D1CE00394A",
volume = "23",
number = "27",
url = "https://hdl.handle.net/21.15107/rcub_dais_11759"
}
Ristić, P., Filipović, N., Blagojević, V. A., Ćirković, J., Holló, B. B., Đokić, V. R., Donnard, M., Gulea, M., Marjanović, I., Klisurić, O. R.,& Todorović, T. R.. (2021). Supplementary information for the article: Ristić, P., Filipović, N., Blagojević, V. A., Ćirković, J., Holló, B. B., Đokić, V. R., Donnard, M., Gulea, M., Marjanović, I., Klisurić, O. R.,& Todorović, T. R. (2021). 2D and 3D silver-based coordination polymers with thiomorpholine-4-carbonitrile and piperazine-1,4-dicarbonitrile: structure, intermolecular interactions, photocatalysis, and thermal behavior. CrystEngComm, Royal Society of Chemistry (RSC), 23(27), 4799-4815. https://doi.org/10.1039/D1CE00394A. in CrystEngComm
Royal Society of Chemistry (RSC)., 23(27).
https://hdl.handle.net/21.15107/rcub_dais_11759
Ristić P, Filipović N, Blagojević VA, Ćirković J, Holló BB, Đokić VR, Donnard M, Gulea M, Marjanović I, Klisurić OR, Todorović TR. Supplementary information for the article: Ristić, P., Filipović, N., Blagojević, V. A., Ćirković, J., Holló, B. B., Đokić, V. R., Donnard, M., Gulea, M., Marjanović, I., Klisurić, O. R.,& Todorović, T. R. (2021). 2D and 3D silver-based coordination polymers with thiomorpholine-4-carbonitrile and piperazine-1,4-dicarbonitrile: structure, intermolecular interactions, photocatalysis, and thermal behavior. CrystEngComm, Royal Society of Chemistry (RSC), 23(27), 4799-4815. https://doi.org/10.1039/D1CE00394A. in CrystEngComm. 2021;23(27).
https://hdl.handle.net/21.15107/rcub_dais_11759 .
Ristić, Predrag, Filipović, Nenad, Blagojević, Vladimir A., Ćirković, Jovana, Holló, Berta Barta, Đokić, Veljko R., Donnard, Morgan, Gulea, Mihaela, Marjanović, Ivana, Klisurić, Olivera R., Todorović, Tamara R., "Supplementary information for the article: Ristić, P., Filipović, N., Blagojević, V. A., Ćirković, J., Holló, B. B., Đokić, V. R., Donnard, M., Gulea, M., Marjanović, I., Klisurić, O. R.,& Todorović, T. R. (2021). 2D and 3D silver-based coordination polymers with thiomorpholine-4-carbonitrile and piperazine-1,4-dicarbonitrile: structure, intermolecular interactions, photocatalysis, and thermal behavior. CrystEngComm, Royal Society of Chemistry (RSC), 23(27), 4799-4815. https://doi.org/10.1039/D1CE00394A" in CrystEngComm, 23, no. 27 (2021),
https://hdl.handle.net/21.15107/rcub_dais_11759 .

2D and 3D silver-based coordination polymers with thiomorpholine-4-carbonitrile and piperazine-1,4-dicarbonitrile: structure, intermolecular interactions, photocatalysis, and thermal behavior

Ristić, Predrag; Filipović, Nenad; Blagojević, Vladimir A.; Ćirković, Jovana; Holló, Berta Barta; Đokić, Veljko R.; Donnard, Morgan; Gulea, Mihaela; Marjanović, Ivana; Klisurić, Olivera R.; Todorović, Tamara R.

(Royal Society of Chemistry (RSC), 2021)

TY  - JOUR
AU  - Ristić, Predrag
AU  - Filipović, Nenad
AU  - Blagojević, Vladimir A.
AU  - Ćirković, Jovana
AU  - Holló, Berta Barta
AU  - Đokić, Veljko R.
AU  - Donnard, Morgan
AU  - Gulea, Mihaela
AU  - Marjanović, Ivana
AU  - Klisurić, Olivera R.
AU  - Todorović, Tamara R.
PY  - 2021
UR  - https://dais.sanu.ac.rs/123456789/11757
AB  - Four silver-based coordination polymers, {[Ag(L1)2]NO3}∞ (1), {[Ag(L1)2]ClO4}∞ (2), {[Ag(L2)2]NO3·H2O}∞ (3) and {[Ag(L2)2]ClO4}∞ (4), were synthesized using the thiomorpholine-4-carbonitrile (L1) and piperazine-1,4-dicarbonitrile (L2) ligands. Compounds 1 and 2 are two-dimensional, while 3 and 4 are three-dimensional. L1 and L2 are 1,4-bis-monodentate ligands in all compounds, while Ag(I) ions are four-coordinated in a slightly distorted tetrahedral geometry. Topological analysis in standard representations suggests that underlying nets in 1 and 2 have an sql topology, while 3 and 4 exhibit a dia topology. Thermal analysis shows that 3 loses crystalline water at room temperature, while other compounds show good thermal stability. All compounds show good photocatalytic activity for photocatalytic degradation of the mordant blue 9 dye, with reaction rates in the range 0.029 to 0.061 min−1. The best result was obtained for compound 4, which can be correlated to its largest lattice volume.
PB  - Royal Society of Chemistry (RSC)
T2  - CrystEngComm
T1  - 2D and 3D silver-based coordination polymers with thiomorpholine-4-carbonitrile and piperazine-1,4-dicarbonitrile: structure, intermolecular interactions, photocatalysis, and thermal behavior
SP  - 4799
EP  - 4815
VL  - 23
IS  - 27
DO  - 10.1039/D1CE00394A
UR  - https://hdl.handle.net/21.15107/rcub_dais_11757
ER  - 
@article{
author = "Ristić, Predrag and Filipović, Nenad and Blagojević, Vladimir A. and Ćirković, Jovana and Holló, Berta Barta and Đokić, Veljko R. and Donnard, Morgan and Gulea, Mihaela and Marjanović, Ivana and Klisurić, Olivera R. and Todorović, Tamara R.",
year = "2021",
abstract = "Four silver-based coordination polymers, {[Ag(L1)2]NO3}∞ (1), {[Ag(L1)2]ClO4}∞ (2), {[Ag(L2)2]NO3·H2O}∞ (3) and {[Ag(L2)2]ClO4}∞ (4), were synthesized using the thiomorpholine-4-carbonitrile (L1) and piperazine-1,4-dicarbonitrile (L2) ligands. Compounds 1 and 2 are two-dimensional, while 3 and 4 are three-dimensional. L1 and L2 are 1,4-bis-monodentate ligands in all compounds, while Ag(I) ions are four-coordinated in a slightly distorted tetrahedral geometry. Topological analysis in standard representations suggests that underlying nets in 1 and 2 have an sql topology, while 3 and 4 exhibit a dia topology. Thermal analysis shows that 3 loses crystalline water at room temperature, while other compounds show good thermal stability. All compounds show good photocatalytic activity for photocatalytic degradation of the mordant blue 9 dye, with reaction rates in the range 0.029 to 0.061 min−1. The best result was obtained for compound 4, which can be correlated to its largest lattice volume.",
publisher = "Royal Society of Chemistry (RSC)",
journal = "CrystEngComm",
title = "2D and 3D silver-based coordination polymers with thiomorpholine-4-carbonitrile and piperazine-1,4-dicarbonitrile: structure, intermolecular interactions, photocatalysis, and thermal behavior",
pages = "4799-4815",
volume = "23",
number = "27",
doi = "10.1039/D1CE00394A",
url = "https://hdl.handle.net/21.15107/rcub_dais_11757"
}
Ristić, P., Filipović, N., Blagojević, V. A., Ćirković, J., Holló, B. B., Đokić, V. R., Donnard, M., Gulea, M., Marjanović, I., Klisurić, O. R.,& Todorović, T. R.. (2021). 2D and 3D silver-based coordination polymers with thiomorpholine-4-carbonitrile and piperazine-1,4-dicarbonitrile: structure, intermolecular interactions, photocatalysis, and thermal behavior. in CrystEngComm
Royal Society of Chemistry (RSC)., 23(27), 4799-4815.
https://doi.org/10.1039/D1CE00394A
https://hdl.handle.net/21.15107/rcub_dais_11757
Ristić P, Filipović N, Blagojević VA, Ćirković J, Holló BB, Đokić VR, Donnard M, Gulea M, Marjanović I, Klisurić OR, Todorović TR. 2D and 3D silver-based coordination polymers with thiomorpholine-4-carbonitrile and piperazine-1,4-dicarbonitrile: structure, intermolecular interactions, photocatalysis, and thermal behavior. in CrystEngComm. 2021;23(27):4799-4815.
doi:10.1039/D1CE00394A
https://hdl.handle.net/21.15107/rcub_dais_11757 .
Ristić, Predrag, Filipović, Nenad, Blagojević, Vladimir A., Ćirković, Jovana, Holló, Berta Barta, Đokić, Veljko R., Donnard, Morgan, Gulea, Mihaela, Marjanović, Ivana, Klisurić, Olivera R., Todorović, Tamara R., "2D and 3D silver-based coordination polymers with thiomorpholine-4-carbonitrile and piperazine-1,4-dicarbonitrile: structure, intermolecular interactions, photocatalysis, and thermal behavior" in CrystEngComm, 23, no. 27 (2021):4799-4815,
https://doi.org/10.1039/D1CE00394A .,
https://hdl.handle.net/21.15107/rcub_dais_11757 .
3
8
7

2D and 3D silver-based coordination polymers with thiomorpholine-4-carbonitrile and piperazine-1,4-dicarbonitrile: structure, intermolecular interactions, photocatalysis, and thermal behavior

Ristić, Predrag; Filipović, Nenad; Blagojević, Vladimir A.; Ćirković, Jovana; Holló, Berta Barta; Đokić, Veljko R.; Donnard, Morgan; Gulea, Mihaela; Marjanović, Ivana; Klisurić, Olivera R.; Todorović, Tamara R.

(Royal Society of Chemistry (RSC), 2021)

TY  - JOUR
AU  - Ristić, Predrag
AU  - Filipović, Nenad
AU  - Blagojević, Vladimir A.
AU  - Ćirković, Jovana
AU  - Holló, Berta Barta
AU  - Đokić, Veljko R.
AU  - Donnard, Morgan
AU  - Gulea, Mihaela
AU  - Marjanović, Ivana
AU  - Klisurić, Olivera R.
AU  - Todorović, Tamara R.
PY  - 2021
UR  - https://dais.sanu.ac.rs/123456789/11753
AB  - Four silver-based coordination polymers, {[Ag(L1)2]NO3}∞ (1), {[Ag(L1)2]ClO4}∞ (2), {[Ag(L2)2]NO3·H2O}∞ (3) and {[Ag(L2)2]ClO4}∞ (4), were synthesized using the thiomorpholine-4-carbonitrile (L1) and piperazine-1,4-dicarbonitrile (L2) ligands. Compounds 1 and 2 are two-dimensional, while 3 and 4 are three-dimensional. L1 and L2 are 1,4-bis-monodentate ligands in all compounds, while Ag(I) ions are four-coordinated in a slightly distorted tetrahedral geometry. Topological analysis in standard representations suggests that underlying nets in 1 and 2 have an sql topology, while 3 and 4 exhibit a dia topology. Thermal analysis shows that 3 loses crystalline water at room temperature, while other compounds show good thermal stability. All compounds show good photocatalytic activity for photocatalytic degradation of the mordant blue 9 dye, with reaction rates in the range 0.029 to 0.061 min−1. The best result was obtained for compound 4, which can be correlated to its largest lattice volume.
PB  - Royal Society of Chemistry (RSC)
T2  - CrystEngComm
T1  - 2D and 3D silver-based coordination polymers with thiomorpholine-4-carbonitrile and piperazine-1,4-dicarbonitrile: structure, intermolecular interactions, photocatalysis, and thermal behavior
SP  - 4799
EP  - 4815
VL  - 23
IS  - 27
DO  - 10.1039/D1CE00394A
UR  - https://hdl.handle.net/21.15107/rcub_dais_11753
ER  - 
@article{
author = "Ristić, Predrag and Filipović, Nenad and Blagojević, Vladimir A. and Ćirković, Jovana and Holló, Berta Barta and Đokić, Veljko R. and Donnard, Morgan and Gulea, Mihaela and Marjanović, Ivana and Klisurić, Olivera R. and Todorović, Tamara R.",
year = "2021",
abstract = "Four silver-based coordination polymers, {[Ag(L1)2]NO3}∞ (1), {[Ag(L1)2]ClO4}∞ (2), {[Ag(L2)2]NO3·H2O}∞ (3) and {[Ag(L2)2]ClO4}∞ (4), were synthesized using the thiomorpholine-4-carbonitrile (L1) and piperazine-1,4-dicarbonitrile (L2) ligands. Compounds 1 and 2 are two-dimensional, while 3 and 4 are three-dimensional. L1 and L2 are 1,4-bis-monodentate ligands in all compounds, while Ag(I) ions are four-coordinated in a slightly distorted tetrahedral geometry. Topological analysis in standard representations suggests that underlying nets in 1 and 2 have an sql topology, while 3 and 4 exhibit a dia topology. Thermal analysis shows that 3 loses crystalline water at room temperature, while other compounds show good thermal stability. All compounds show good photocatalytic activity for photocatalytic degradation of the mordant blue 9 dye, with reaction rates in the range 0.029 to 0.061 min−1. The best result was obtained for compound 4, which can be correlated to its largest lattice volume.",
publisher = "Royal Society of Chemistry (RSC)",
journal = "CrystEngComm",
title = "2D and 3D silver-based coordination polymers with thiomorpholine-4-carbonitrile and piperazine-1,4-dicarbonitrile: structure, intermolecular interactions, photocatalysis, and thermal behavior",
pages = "4799-4815",
volume = "23",
number = "27",
doi = "10.1039/D1CE00394A",
url = "https://hdl.handle.net/21.15107/rcub_dais_11753"
}
Ristić, P., Filipović, N., Blagojević, V. A., Ćirković, J., Holló, B. B., Đokić, V. R., Donnard, M., Gulea, M., Marjanović, I., Klisurić, O. R.,& Todorović, T. R.. (2021). 2D and 3D silver-based coordination polymers with thiomorpholine-4-carbonitrile and piperazine-1,4-dicarbonitrile: structure, intermolecular interactions, photocatalysis, and thermal behavior. in CrystEngComm
Royal Society of Chemistry (RSC)., 23(27), 4799-4815.
https://doi.org/10.1039/D1CE00394A
https://hdl.handle.net/21.15107/rcub_dais_11753
Ristić P, Filipović N, Blagojević VA, Ćirković J, Holló BB, Đokić VR, Donnard M, Gulea M, Marjanović I, Klisurić OR, Todorović TR. 2D and 3D silver-based coordination polymers with thiomorpholine-4-carbonitrile and piperazine-1,4-dicarbonitrile: structure, intermolecular interactions, photocatalysis, and thermal behavior. in CrystEngComm. 2021;23(27):4799-4815.
doi:10.1039/D1CE00394A
https://hdl.handle.net/21.15107/rcub_dais_11753 .
Ristić, Predrag, Filipović, Nenad, Blagojević, Vladimir A., Ćirković, Jovana, Holló, Berta Barta, Đokić, Veljko R., Donnard, Morgan, Gulea, Mihaela, Marjanović, Ivana, Klisurić, Olivera R., Todorović, Tamara R., "2D and 3D silver-based coordination polymers with thiomorpholine-4-carbonitrile and piperazine-1,4-dicarbonitrile: structure, intermolecular interactions, photocatalysis, and thermal behavior" in CrystEngComm, 23, no. 27 (2021):4799-4815,
https://doi.org/10.1039/D1CE00394A .,
https://hdl.handle.net/21.15107/rcub_dais_11753 .
3
8
7

Supplementary data for the article: Ristić, P.; Todorović, T. R.; Blagojević, V.; Klisurić, O. R.; Marjanović, I.; Holló, B. B.; Vulić, P.; Gulea, M.; Donnard, M.; Monge, M.; Rodríguez-Castillo, M.; López-de-Luzuriaga, J. M.; Filipović, N. R. 1D and 2D Silver-Based Coordination Polymers with Thiomorpholine-4-Carbonitrile and Aromatic Polyoxoacids as Coligands: Structure, Photocatalysis, Photoluminescence, and TD-DFT Study. Crystal Growth & Design 2020, 20 (7), 4461–4478. https://doi.org/10.1021/acs.cgd.0c00287

Ristić, Predrag; Todorović, Tamara; Blagojević, Vladimir A.; Klisurić, Olivera; Marjanović, Ivana; Holló, Berta Barta; Vulić, Predrag J.; Gulea, Mihaela; Donnard, Morgan; Monge, Miguel; Rodríguez-Castillo, María; López-de-Luzuriaga, José M.; Filipović, Nenad R.

(American Chemical Society, 2020)

TY  - DATA
AU  - Ristić, Predrag
AU  - Todorović, Tamara
AU  - Blagojević, Vladimir A.
AU  - Klisurić, Olivera
AU  - Marjanović, Ivana
AU  - Holló, Berta Barta
AU  - Vulić, Predrag J.
AU  - Gulea, Mihaela
AU  - Donnard, Morgan
AU  - Monge, Miguel
AU  - Rodríguez-Castillo, María
AU  - López-de-Luzuriaga, José M.
AU  - Filipović, Nenad R.
PY  - 2020
UR  - https://dais.sanu.ac.rs/123456789/9452
AB  - Table S1. Crystallographic data and refinement parameters for SQUEEZED 3 with general formula {[Ag2(H2BTEC)(L)2]}∞; Table S2. Pairwise interaction energies in the crystal structure of 1 based on B3LYP/ DGDZVP energy mode; Table S3. Pairwise interaction energies in the crystal structure of 2 based on B3LYP/ DGDZVP energy mode; Table S4. Pairwise interaction energies in the crystal structure of 3 based on B3LYP/ DGDZVP energy model; Table S5. Pairwise interaction energies in the crystal structure of 4 based on B3LYP/ DGDZVP energy model; Powder X-ray diffraction analysis: All  samples  correspond  to  the  single-phase  X-ray  powder  patterns  (Figure  S1)  in  accordance with the structural model obtained by the single-crystal X-ray diffraction. It should be noted that the best overlap of peaks in the powder pattern for 3 was obtained using  SQUEEZED cif single crystal   data.   According   to   the   results   of   powder   X-ray   structural   analysis,   as   well   as thermogravimetric  analysis,  3  readily  loses  solvent  water  molecules  without  change  of  the structure. For 1, 2 and 4, given the absence of any secondary phases, it can be concluded that all of  the  samples  are  stable  in  air  under  conditions  of  manual  pulverization  required  to  create powder samples from single crystals.
PB  - American Chemical Society
T2  - Crystal Growth & Design
T1  - Supplementary data for the article: Ristić, P.; Todorović, T. R.; Blagojević, V.; Klisurić, O. R.; Marjanović, I.; Holló, B. B.; Vulić, P.; Gulea, M.; Donnard, M.; Monge, M.; Rodríguez-Castillo, M.; López-de-Luzuriaga, J. M.; Filipović, N. R. 1D and 2D Silver-Based Coordination Polymers with Thiomorpholine-4-Carbonitrile and Aromatic Polyoxoacids as Coligands: Structure, Photocatalysis, Photoluminescence, and TD-DFT Study. Crystal Growth & Design 2020, 20 (7), 4461–4478. https://doi.org/10.1021/acs.cgd.0c00287
UR  - https://hdl.handle.net/21.15107/rcub_dais_9452
ER  - 
@misc{
author = "Ristić, Predrag and Todorović, Tamara and Blagojević, Vladimir A. and Klisurić, Olivera and Marjanović, Ivana and Holló, Berta Barta and Vulić, Predrag J. and Gulea, Mihaela and Donnard, Morgan and Monge, Miguel and Rodríguez-Castillo, María and López-de-Luzuriaga, José M. and Filipović, Nenad R.",
year = "2020",
abstract = "Table S1. Crystallographic data and refinement parameters for SQUEEZED 3 with general formula {[Ag2(H2BTEC)(L)2]}∞; Table S2. Pairwise interaction energies in the crystal structure of 1 based on B3LYP/ DGDZVP energy mode; Table S3. Pairwise interaction energies in the crystal structure of 2 based on B3LYP/ DGDZVP energy mode; Table S4. Pairwise interaction energies in the crystal structure of 3 based on B3LYP/ DGDZVP energy model; Table S5. Pairwise interaction energies in the crystal structure of 4 based on B3LYP/ DGDZVP energy model; Powder X-ray diffraction analysis: All  samples  correspond  to  the  single-phase  X-ray  powder  patterns  (Figure  S1)  in  accordance with the structural model obtained by the single-crystal X-ray diffraction. It should be noted that the best overlap of peaks in the powder pattern for 3 was obtained using  SQUEEZED cif single crystal   data.   According   to   the   results   of   powder   X-ray   structural   analysis,   as   well   as thermogravimetric  analysis,  3  readily  loses  solvent  water  molecules  without  change  of  the structure. For 1, 2 and 4, given the absence of any secondary phases, it can be concluded that all of  the  samples  are  stable  in  air  under  conditions  of  manual  pulverization  required  to  create powder samples from single crystals.",
publisher = "American Chemical Society",
journal = "Crystal Growth & Design",
title = "Supplementary data for the article: Ristić, P.; Todorović, T. R.; Blagojević, V.; Klisurić, O. R.; Marjanović, I.; Holló, B. B.; Vulić, P.; Gulea, M.; Donnard, M.; Monge, M.; Rodríguez-Castillo, M.; López-de-Luzuriaga, J. M.; Filipović, N. R. 1D and 2D Silver-Based Coordination Polymers with Thiomorpholine-4-Carbonitrile and Aromatic Polyoxoacids as Coligands: Structure, Photocatalysis, Photoluminescence, and TD-DFT Study. Crystal Growth & Design 2020, 20 (7), 4461–4478. https://doi.org/10.1021/acs.cgd.0c00287",
url = "https://hdl.handle.net/21.15107/rcub_dais_9452"
}
Ristić, P., Todorović, T., Blagojević, V. A., Klisurić, O., Marjanović, I., Holló, B. B., Vulić, P. J., Gulea, M., Donnard, M., Monge, M., Rodríguez-Castillo, M., López-de-Luzuriaga, J. M.,& Filipović, N. R.. (2020). Supplementary data for the article: Ristić, P.; Todorović, T. R.; Blagojević, V.; Klisurić, O. R.; Marjanović, I.; Holló, B. B.; Vulić, P.; Gulea, M.; Donnard, M.; Monge, M.; Rodríguez-Castillo, M.; López-de-Luzuriaga, J. M.; Filipović, N. R. 1D and 2D Silver-Based Coordination Polymers with Thiomorpholine-4-Carbonitrile and Aromatic Polyoxoacids as Coligands: Structure, Photocatalysis, Photoluminescence, and TD-DFT Study. Crystal Growth & Design 2020, 20 (7), 4461–4478. https://doi.org/10.1021/acs.cgd.0c00287. in Crystal Growth & Design
American Chemical Society..
https://hdl.handle.net/21.15107/rcub_dais_9452
Ristić P, Todorović T, Blagojević VA, Klisurić O, Marjanović I, Holló BB, Vulić PJ, Gulea M, Donnard M, Monge M, Rodríguez-Castillo M, López-de-Luzuriaga JM, Filipović NR. Supplementary data for the article: Ristić, P.; Todorović, T. R.; Blagojević, V.; Klisurić, O. R.; Marjanović, I.; Holló, B. B.; Vulić, P.; Gulea, M.; Donnard, M.; Monge, M.; Rodríguez-Castillo, M.; López-de-Luzuriaga, J. M.; Filipović, N. R. 1D and 2D Silver-Based Coordination Polymers with Thiomorpholine-4-Carbonitrile and Aromatic Polyoxoacids as Coligands: Structure, Photocatalysis, Photoluminescence, and TD-DFT Study. Crystal Growth & Design 2020, 20 (7), 4461–4478. https://doi.org/10.1021/acs.cgd.0c00287. in Crystal Growth & Design. 2020;.
https://hdl.handle.net/21.15107/rcub_dais_9452 .
Ristić, Predrag, Todorović, Tamara, Blagojević, Vladimir A., Klisurić, Olivera, Marjanović, Ivana, Holló, Berta Barta, Vulić, Predrag J., Gulea, Mihaela, Donnard, Morgan, Monge, Miguel, Rodríguez-Castillo, María, López-de-Luzuriaga, José M., Filipović, Nenad R., "Supplementary data for the article: Ristić, P.; Todorović, T. R.; Blagojević, V.; Klisurić, O. R.; Marjanović, I.; Holló, B. B.; Vulić, P.; Gulea, M.; Donnard, M.; Monge, M.; Rodríguez-Castillo, M.; López-de-Luzuriaga, J. M.; Filipović, N. R. 1D and 2D Silver-Based Coordination Polymers with Thiomorpholine-4-Carbonitrile and Aromatic Polyoxoacids as Coligands: Structure, Photocatalysis, Photoluminescence, and TD-DFT Study. Crystal Growth & Design 2020, 20 (7), 4461–4478. https://doi.org/10.1021/acs.cgd.0c00287" in Crystal Growth & Design (2020),
https://hdl.handle.net/21.15107/rcub_dais_9452 .

1D and 2D Silver-Based Coordination Polymers with Thiomorpholine-4-carbonitrile and Aromatic Polyoxoacids as Coligands: Structure, Photocatalysis, Photoluminescence, and TD-DFT Study

Ristić, Predrag; Todorović, Tamara R.; Blagojević, Vladimir; Klisurić, Olivera R.; Marjanović, Ivana; Holló, Berta Barta; Vulić, Predrag; Gulea, Mihaela; Donnard, Morgan; Monge, Miguel; Rodríguez-Castillo, María; López-de-Luzuriaga, José M.; Filipović, Nenad R.

(American Chemical Society, 2020)

TY  - JOUR
AU  - Ristić, Predrag
AU  - Todorović, Tamara R.
AU  - Blagojević, Vladimir
AU  - Klisurić, Olivera R.
AU  - Marjanović, Ivana
AU  - Holló, Berta Barta
AU  - Vulić, Predrag
AU  - Gulea, Mihaela
AU  - Donnard, Morgan
AU  - Monge, Miguel
AU  - Rodríguez-Castillo, María
AU  - López-de-Luzuriaga, José M.
AU  - Filipović, Nenad R.
PY  - 2020
UR  - https://dais.sanu.ac.rs/123456789/8960
AB  - Four silver-based coordination polymers, {[Ag(L)2](BF4)}∞ (1), {[Ag(H2BTC)(L)]·(H3BTC)}∞ (2), {[Ag2(H2BTEC)(L)2]·3.33H2O}∞ (3), and [Ag(H25SSA)(L)]∞ (4), were synthesized using thiomorpholine-4-carbonitrile (L) as the primary ligand and three aromatic polyoxoacids as coligands: trimesic (H3BTC), pyromellitic (H4BTEC), and 5-sulfosalicylic acid (H35SSA). Compounds 1 and 3 are two-dimensional, while 2 and 4 are one-dimensional. L acts as a bis-monodentate ligand, while the Ag(I) ion is three-coordinated in 2 and four-coordinated in all of the other compounds. The tetrahedral coordination of Ag(I) in 3 leads to an almost complete absence of intermolecular interactions with the metal center. All compounds show reasonable photocatalytic activity for photocatalytic degradation of mordant blue 9 dye, with reaction rates in the 0.036–0.056 min–1 range. Changes in the reaction rates can be correlated with the type and coordination of the coligand. Complex 3 exhibits photoluminescence at 77 K, while 4 exhibits photoluminescence at both room temperature and 77 K. Luminescence lifetimes indicate electronic transitions of singlet parentage, where transitions are allowed. A TD-DFT study determined the contributions of individual singlet–singlet electronic excitations to the fluorescence, indicating that metal– intraligand transitions are responsible for luminescence in both complexes.
PB  - American Chemical Society
T2  - Crystal Growth & Design
T1  - 1D and 2D Silver-Based Coordination Polymers with Thiomorpholine-4-carbonitrile and Aromatic Polyoxoacids as Coligands: Structure, Photocatalysis, Photoluminescence, and TD-DFT Study
SP  - 4461
EP  - 4478
VL  - 20
IS  - 7
DO  - 10.1021/acs.cgd.0c00287
UR  - https://hdl.handle.net/21.15107/rcub_dais_8960
ER  - 
@article{
author = "Ristić, Predrag and Todorović, Tamara R. and Blagojević, Vladimir and Klisurić, Olivera R. and Marjanović, Ivana and Holló, Berta Barta and Vulić, Predrag and Gulea, Mihaela and Donnard, Morgan and Monge, Miguel and Rodríguez-Castillo, María and López-de-Luzuriaga, José M. and Filipović, Nenad R.",
year = "2020",
abstract = "Four silver-based coordination polymers, {[Ag(L)2](BF4)}∞ (1), {[Ag(H2BTC)(L)]·(H3BTC)}∞ (2), {[Ag2(H2BTEC)(L)2]·3.33H2O}∞ (3), and [Ag(H25SSA)(L)]∞ (4), were synthesized using thiomorpholine-4-carbonitrile (L) as the primary ligand and three aromatic polyoxoacids as coligands: trimesic (H3BTC), pyromellitic (H4BTEC), and 5-sulfosalicylic acid (H35SSA). Compounds 1 and 3 are two-dimensional, while 2 and 4 are one-dimensional. L acts as a bis-monodentate ligand, while the Ag(I) ion is three-coordinated in 2 and four-coordinated in all of the other compounds. The tetrahedral coordination of Ag(I) in 3 leads to an almost complete absence of intermolecular interactions with the metal center. All compounds show reasonable photocatalytic activity for photocatalytic degradation of mordant blue 9 dye, with reaction rates in the 0.036–0.056 min–1 range. Changes in the reaction rates can be correlated with the type and coordination of the coligand. Complex 3 exhibits photoluminescence at 77 K, while 4 exhibits photoluminescence at both room temperature and 77 K. Luminescence lifetimes indicate electronic transitions of singlet parentage, where transitions are allowed. A TD-DFT study determined the contributions of individual singlet–singlet electronic excitations to the fluorescence, indicating that metal– intraligand transitions are responsible for luminescence in both complexes.",
publisher = "American Chemical Society",
journal = "Crystal Growth & Design",
title = "1D and 2D Silver-Based Coordination Polymers with Thiomorpholine-4-carbonitrile and Aromatic Polyoxoacids as Coligands: Structure, Photocatalysis, Photoluminescence, and TD-DFT Study",
pages = "4461-4478",
volume = "20",
number = "7",
doi = "10.1021/acs.cgd.0c00287",
url = "https://hdl.handle.net/21.15107/rcub_dais_8960"
}
Ristić, P., Todorović, T. R., Blagojević, V., Klisurić, O. R., Marjanović, I., Holló, B. B., Vulić, P., Gulea, M., Donnard, M., Monge, M., Rodríguez-Castillo, M., López-de-Luzuriaga, J. M.,& Filipović, N. R.. (2020). 1D and 2D Silver-Based Coordination Polymers with Thiomorpholine-4-carbonitrile and Aromatic Polyoxoacids as Coligands: Structure, Photocatalysis, Photoluminescence, and TD-DFT Study. in Crystal Growth & Design
American Chemical Society., 20(7), 4461-4478.
https://doi.org/10.1021/acs.cgd.0c00287
https://hdl.handle.net/21.15107/rcub_dais_8960
Ristić P, Todorović TR, Blagojević V, Klisurić OR, Marjanović I, Holló BB, Vulić P, Gulea M, Donnard M, Monge M, Rodríguez-Castillo M, López-de-Luzuriaga JM, Filipović NR. 1D and 2D Silver-Based Coordination Polymers with Thiomorpholine-4-carbonitrile and Aromatic Polyoxoacids as Coligands: Structure, Photocatalysis, Photoluminescence, and TD-DFT Study. in Crystal Growth & Design. 2020;20(7):4461-4478.
doi:10.1021/acs.cgd.0c00287
https://hdl.handle.net/21.15107/rcub_dais_8960 .
Ristić, Predrag, Todorović, Tamara R., Blagojević, Vladimir, Klisurić, Olivera R., Marjanović, Ivana, Holló, Berta Barta, Vulić, Predrag, Gulea, Mihaela, Donnard, Morgan, Monge, Miguel, Rodríguez-Castillo, María, López-de-Luzuriaga, José M., Filipović, Nenad R., "1D and 2D Silver-Based Coordination Polymers with Thiomorpholine-4-carbonitrile and Aromatic Polyoxoacids as Coligands: Structure, Photocatalysis, Photoluminescence, and TD-DFT Study" in Crystal Growth & Design, 20, no. 7 (2020):4461-4478,
https://doi.org/10.1021/acs.cgd.0c00287 .,
https://hdl.handle.net/21.15107/rcub_dais_8960 .
3
12
5
11

1D and 2D Silver-Based Coordination Polymers with Thiomorpholine-4-carbonitrile and Aromatic Polyoxoacids as Coligands: Structure, Photocatalysis, Photoluminescence, and TD-DFT Study

Ristić, Predrag; Todorović, Tamara R.; Blagojević, Vladimir; Klisurić, Olivera R.; Marjanović, Ivana; Holló, Berta Barta; Vulić, Predrag; Gulea, Mihaela; Donnard, Morgan; Monge, Miguel; Rodríguez-Castillo, María; López-de-Luzuriaga, José M.; Filipović, Nenad R.

(American Chemical Society, 2020)

TY  - JOUR
AU  - Ristić, Predrag
AU  - Todorović, Tamara R.
AU  - Blagojević, Vladimir
AU  - Klisurić, Olivera R.
AU  - Marjanović, Ivana
AU  - Holló, Berta Barta
AU  - Vulić, Predrag
AU  - Gulea, Mihaela
AU  - Donnard, Morgan
AU  - Monge, Miguel
AU  - Rodríguez-Castillo, María
AU  - López-de-Luzuriaga, José M.
AU  - Filipović, Nenad R.
PY  - 2020
UR  - https://dais.sanu.ac.rs/123456789/8956
AB  - Four silver-based coordination polymers, {[Ag(L)2](BF4)}∞ (1), {[Ag(H2BTC)(L)]·(H3BTC)}∞ (2), {[Ag2(H2BTEC)(L)2]·3.33H2O}∞ (3), and [Ag(H25SSA)(L)]∞ (4), were synthesized using thiomorpholine-4-carbonitrile (L) as the primary ligand and three aromatic polyoxoacids as coligands: trimesic (H3BTC), pyromellitic (H4BTEC), and 5-sulfosalicylic acid (H35SSA). Compounds 1 and 3 are two-dimensional, while 2 and 4 are one-dimensional. L acts as a bis-monodentate ligand, while the Ag(I) ion is three-coordinated in 2 and four-coordinated in all of the other compounds. The tetrahedral coordination of Ag(I) in 3 leads to an almost complete absence of intermolecular interactions with the metal center. All compounds show reasonable photocatalytic activity for photocatalytic degradation of mordant blue 9 dye, with reaction rates in the 0.036–0.056 min–1 range. Changes in the reaction rates can be correlated with the type and coordination of the coligand. Complex 3 exhibits photoluminescence at 77 K, while 4 exhibits photoluminescence at both room temperature and 77 K. Luminescence lifetimes indicate electronic transitions of singlet parentage, where transitions are allowed. A TD-DFT study determined the contributions of individual singlet–singlet electronic excitations to the fluorescence, indicating that metal– intraligand transitions are responsible for luminescence in both complexes.
PB  - American Chemical Society
T2  - Crystal Growth & Design
T1  - 1D and 2D Silver-Based Coordination Polymers with Thiomorpholine-4-carbonitrile and Aromatic Polyoxoacids as Coligands: Structure, Photocatalysis, Photoluminescence, and TD-DFT Study
SP  - 4461
EP  - 4478
VL  - 20
IS  - 7
DO  - 10.1021/acs.cgd.0c00287
UR  - https://hdl.handle.net/21.15107/rcub_dais_8956
ER  - 
@article{
author = "Ristić, Predrag and Todorović, Tamara R. and Blagojević, Vladimir and Klisurić, Olivera R. and Marjanović, Ivana and Holló, Berta Barta and Vulić, Predrag and Gulea, Mihaela and Donnard, Morgan and Monge, Miguel and Rodríguez-Castillo, María and López-de-Luzuriaga, José M. and Filipović, Nenad R.",
year = "2020",
abstract = "Four silver-based coordination polymers, {[Ag(L)2](BF4)}∞ (1), {[Ag(H2BTC)(L)]·(H3BTC)}∞ (2), {[Ag2(H2BTEC)(L)2]·3.33H2O}∞ (3), and [Ag(H25SSA)(L)]∞ (4), were synthesized using thiomorpholine-4-carbonitrile (L) as the primary ligand and three aromatic polyoxoacids as coligands: trimesic (H3BTC), pyromellitic (H4BTEC), and 5-sulfosalicylic acid (H35SSA). Compounds 1 and 3 are two-dimensional, while 2 and 4 are one-dimensional. L acts as a bis-monodentate ligand, while the Ag(I) ion is three-coordinated in 2 and four-coordinated in all of the other compounds. The tetrahedral coordination of Ag(I) in 3 leads to an almost complete absence of intermolecular interactions with the metal center. All compounds show reasonable photocatalytic activity for photocatalytic degradation of mordant blue 9 dye, with reaction rates in the 0.036–0.056 min–1 range. Changes in the reaction rates can be correlated with the type and coordination of the coligand. Complex 3 exhibits photoluminescence at 77 K, while 4 exhibits photoluminescence at both room temperature and 77 K. Luminescence lifetimes indicate electronic transitions of singlet parentage, where transitions are allowed. A TD-DFT study determined the contributions of individual singlet–singlet electronic excitations to the fluorescence, indicating that metal– intraligand transitions are responsible for luminescence in both complexes.",
publisher = "American Chemical Society",
journal = "Crystal Growth & Design",
title = "1D and 2D Silver-Based Coordination Polymers with Thiomorpholine-4-carbonitrile and Aromatic Polyoxoacids as Coligands: Structure, Photocatalysis, Photoluminescence, and TD-DFT Study",
pages = "4461-4478",
volume = "20",
number = "7",
doi = "10.1021/acs.cgd.0c00287",
url = "https://hdl.handle.net/21.15107/rcub_dais_8956"
}
Ristić, P., Todorović, T. R., Blagojević, V., Klisurić, O. R., Marjanović, I., Holló, B. B., Vulić, P., Gulea, M., Donnard, M., Monge, M., Rodríguez-Castillo, M., López-de-Luzuriaga, J. M.,& Filipović, N. R.. (2020). 1D and 2D Silver-Based Coordination Polymers with Thiomorpholine-4-carbonitrile and Aromatic Polyoxoacids as Coligands: Structure, Photocatalysis, Photoluminescence, and TD-DFT Study. in Crystal Growth & Design
American Chemical Society., 20(7), 4461-4478.
https://doi.org/10.1021/acs.cgd.0c00287
https://hdl.handle.net/21.15107/rcub_dais_8956
Ristić P, Todorović TR, Blagojević V, Klisurić OR, Marjanović I, Holló BB, Vulić P, Gulea M, Donnard M, Monge M, Rodríguez-Castillo M, López-de-Luzuriaga JM, Filipović NR. 1D and 2D Silver-Based Coordination Polymers with Thiomorpholine-4-carbonitrile and Aromatic Polyoxoacids as Coligands: Structure, Photocatalysis, Photoluminescence, and TD-DFT Study. in Crystal Growth & Design. 2020;20(7):4461-4478.
doi:10.1021/acs.cgd.0c00287
https://hdl.handle.net/21.15107/rcub_dais_8956 .
Ristić, Predrag, Todorović, Tamara R., Blagojević, Vladimir, Klisurić, Olivera R., Marjanović, Ivana, Holló, Berta Barta, Vulić, Predrag, Gulea, Mihaela, Donnard, Morgan, Monge, Miguel, Rodríguez-Castillo, María, López-de-Luzuriaga, José M., Filipović, Nenad R., "1D and 2D Silver-Based Coordination Polymers with Thiomorpholine-4-carbonitrile and Aromatic Polyoxoacids as Coligands: Structure, Photocatalysis, Photoluminescence, and TD-DFT Study" in Crystal Growth & Design, 20, no. 7 (2020):4461-4478,
https://doi.org/10.1021/acs.cgd.0c00287 .,
https://hdl.handle.net/21.15107/rcub_dais_8956 .
3
12
5
11

Supplementary data for the article: Ristić, P.; Blagojević, V.; Janjić, G.; Rodić, M.; Vulić, P.; Donnard, M.; Gulea, M.; Chylewska, A.; Makowski, M.; Todorović, T.; Filipović, N. Influence of C–H/X (X = S, Cl, N, Pt/Pd) Interactions on the Molecular and Crystal Structures of Pt(II) and Pd(II) Complexes with Thiomorpholine-4-Carbonitrile: Crystallographic, Thermal, and DFT Study. Crystal Growth & Design 2020, 20 (5), 3018–3033. https://doi.org/10.1021/acs.cgd.9b01661

Ristić, Predrag; Blagojević, Vladimir A.; Janjić, Goran V.; Rodić, Marko; Vulić, Predrag J.; Donnard, Morgan; Gulea, Mihaela; Chylewska, Agnieszka; Makowski, Mariusz; Todorović, Tamara; Filipović, Nenad R.

(American Chemical Society, 2020)

TY  - DATA
AU  - Ristić, Predrag
AU  - Blagojević, Vladimir A.
AU  - Janjić, Goran V.
AU  - Rodić, Marko
AU  - Vulić, Predrag J.
AU  - Donnard, Morgan
AU  - Gulea, Mihaela
AU  - Chylewska, Agnieszka
AU  - Makowski, Mariusz
AU  - Todorović, Tamara
AU  - Filipović, Nenad R.
PY  - 2020
UR  - https://dais.sanu.ac.rs/123456789/9455
AB  - Figure S1.IR spectra of gaseous decomposition products obtained during TGexperiments with 1(A) and 2(B);Figure S2.The 3D presentation of thermal decompositions versustime together with IR spectra of their gaseous products: (a)1; (b)2; Figure S3. Overlapped experimental (blue) and calculated (red) powder XRD diffractograms of 1 (A) and 2 (B); Figure S4.Comparison between experimental powder XRD patterns of 1(left) and 2(right) with simulated  patterns  of  their  analogues  with  different positionof M‒Sbondwith  respect  to  the TM-CN ring chair conformation; Figure S5. Optical microscope images of Pt-(left) and Pd-complex (right)showing as-obtained single crystals; Figure S6.SEM images of Pt-(left) and Pd-complex (right)after reduction to powder for XRD measurements; Figure S7. 1H NMR spectra of TM-CN in DMSO-d6(A) and CD3NO2(B); Figure S8. 13CNMR spectra of TM-CN in DMSO-d6(A) and CD3NO2(B); Figure S9. 1H (A) and 13CNMR (B) spectra of 1in DMSO-d6; Figure S10. COSY spectrum of 1in DMSO-d6; Figure S11. NOESY spectrum of 1in DMSO-d6; Figure S12. 1H–13CHSQC spectrum of 1in DMSO-d6, Figure S13. 1H (A) and 13CNMR (B) spectra of 1in CD3NO2; Figure S14. 1H (A) and 13CNMR (B) spectra of 2in DMSO-d6; Figure S15. 1H (A) and 13CNMR (B) spectra of 2in CD3NO2; Scheme S1. Labellingof atoms used for NMR signal assignments;
Table  S1.Experimental  vibrational  frequencies  (cm-1)  and  signals  description  of  complexes studied;Table S2.Crystal data and structure refinement for 1and 2; Table S3.Selected bond lengths (Å) and angles (°) for complexes 1 and 2;Table  S4. Results  of  energy  calculations  for  C-H/Cl-M,  C-H/S-M,  C-H/M  and C-H/NCinteractions  (M=  Pd(II)  and  Pt(II))  at wb97xd/6-31+g**  +lanl2dzlevel  of  theory.  Energies  are expressed in kcal/mol; Table  S5.C-H/M  interactions  obtained  from  the  periodic  calculations  of  axial  and  equatorially coordinated Pd and Pt; Table S6.1H NMR spectral data (399.74 MHz)in DMSO-d6and CD3NO2at 298 K for TM-CN and complexes 1and 2; Table S7. 13C NMR spectral data (100.53 MHz)in DMSO-d6and CD3NO2at 298 K for TM-CN and complexes 1and 2.
PB  - American Chemical Society
T2  - Crystal Growth & Design
T1  - Supplementary data for the article: Ristić, P.; Blagojević, V.; Janjić, G.; Rodić, M.; Vulić, P.; Donnard, M.; Gulea, M.; Chylewska, A.; Makowski, M.; Todorović, T.; Filipović, N. Influence of C–H/X (X = S, Cl, N, Pt/Pd) Interactions on the Molecular and Crystal Structures of Pt(II) and Pd(II) Complexes with Thiomorpholine-4-Carbonitrile: Crystallographic, Thermal, and DFT Study. Crystal Growth & Design 2020, 20 (5), 3018–3033. https://doi.org/10.1021/acs.cgd.9b01661
UR  - https://hdl.handle.net/21.15107/rcub_dais_9455
ER  - 
@misc{
author = "Ristić, Predrag and Blagojević, Vladimir A. and Janjić, Goran V. and Rodić, Marko and Vulić, Predrag J. and Donnard, Morgan and Gulea, Mihaela and Chylewska, Agnieszka and Makowski, Mariusz and Todorović, Tamara and Filipović, Nenad R.",
year = "2020",
abstract = "Figure S1.IR spectra of gaseous decomposition products obtained during TGexperiments with 1(A) and 2(B);Figure S2.The 3D presentation of thermal decompositions versustime together with IR spectra of their gaseous products: (a)1; (b)2; Figure S3. Overlapped experimental (blue) and calculated (red) powder XRD diffractograms of 1 (A) and 2 (B); Figure S4.Comparison between experimental powder XRD patterns of 1(left) and 2(right) with simulated  patterns  of  their  analogues  with  different positionof M‒Sbondwith  respect  to  the TM-CN ring chair conformation; Figure S5. Optical microscope images of Pt-(left) and Pd-complex (right)showing as-obtained single crystals; Figure S6.SEM images of Pt-(left) and Pd-complex (right)after reduction to powder for XRD measurements; Figure S7. 1H NMR spectra of TM-CN in DMSO-d6(A) and CD3NO2(B); Figure S8. 13CNMR spectra of TM-CN in DMSO-d6(A) and CD3NO2(B); Figure S9. 1H (A) and 13CNMR (B) spectra of 1in DMSO-d6; Figure S10. COSY spectrum of 1in DMSO-d6; Figure S11. NOESY spectrum of 1in DMSO-d6; Figure S12. 1H–13CHSQC spectrum of 1in DMSO-d6, Figure S13. 1H (A) and 13CNMR (B) spectra of 1in CD3NO2; Figure S14. 1H (A) and 13CNMR (B) spectra of 2in DMSO-d6; Figure S15. 1H (A) and 13CNMR (B) spectra of 2in CD3NO2; Scheme S1. Labellingof atoms used for NMR signal assignments;
Table  S1.Experimental  vibrational  frequencies  (cm-1)  and  signals  description  of  complexes studied;Table S2.Crystal data and structure refinement for 1and 2; Table S3.Selected bond lengths (Å) and angles (°) for complexes 1 and 2;Table  S4. Results  of  energy  calculations  for  C-H/Cl-M,  C-H/S-M,  C-H/M  and C-H/NCinteractions  (M=  Pd(II)  and  Pt(II))  at wb97xd/6-31+g**  +lanl2dzlevel  of  theory.  Energies  are expressed in kcal/mol; Table  S5.C-H/M  interactions  obtained  from  the  periodic  calculations  of  axial  and  equatorially coordinated Pd and Pt; Table S6.1H NMR spectral data (399.74 MHz)in DMSO-d6and CD3NO2at 298 K for TM-CN and complexes 1and 2; Table S7. 13C NMR spectral data (100.53 MHz)in DMSO-d6and CD3NO2at 298 K for TM-CN and complexes 1and 2.",
publisher = "American Chemical Society",
journal = "Crystal Growth & Design",
title = "Supplementary data for the article: Ristić, P.; Blagojević, V.; Janjić, G.; Rodić, M.; Vulić, P.; Donnard, M.; Gulea, M.; Chylewska, A.; Makowski, M.; Todorović, T.; Filipović, N. Influence of C–H/X (X = S, Cl, N, Pt/Pd) Interactions on the Molecular and Crystal Structures of Pt(II) and Pd(II) Complexes with Thiomorpholine-4-Carbonitrile: Crystallographic, Thermal, and DFT Study. Crystal Growth & Design 2020, 20 (5), 3018–3033. https://doi.org/10.1021/acs.cgd.9b01661",
url = "https://hdl.handle.net/21.15107/rcub_dais_9455"
}
Ristić, P., Blagojević, V. A., Janjić, G. V., Rodić, M., Vulić, P. J., Donnard, M., Gulea, M., Chylewska, A., Makowski, M., Todorović, T.,& Filipović, N. R.. (2020). Supplementary data for the article: Ristić, P.; Blagojević, V.; Janjić, G.; Rodić, M.; Vulić, P.; Donnard, M.; Gulea, M.; Chylewska, A.; Makowski, M.; Todorović, T.; Filipović, N. Influence of C–H/X (X = S, Cl, N, Pt/Pd) Interactions on the Molecular and Crystal Structures of Pt(II) and Pd(II) Complexes with Thiomorpholine-4-Carbonitrile: Crystallographic, Thermal, and DFT Study. Crystal Growth & Design 2020, 20 (5), 3018–3033. https://doi.org/10.1021/acs.cgd.9b01661. in Crystal Growth & Design
American Chemical Society..
https://hdl.handle.net/21.15107/rcub_dais_9455
Ristić P, Blagojević VA, Janjić GV, Rodić M, Vulić PJ, Donnard M, Gulea M, Chylewska A, Makowski M, Todorović T, Filipović NR. Supplementary data for the article: Ristić, P.; Blagojević, V.; Janjić, G.; Rodić, M.; Vulić, P.; Donnard, M.; Gulea, M.; Chylewska, A.; Makowski, M.; Todorović, T.; Filipović, N. Influence of C–H/X (X = S, Cl, N, Pt/Pd) Interactions on the Molecular and Crystal Structures of Pt(II) and Pd(II) Complexes with Thiomorpholine-4-Carbonitrile: Crystallographic, Thermal, and DFT Study. Crystal Growth & Design 2020, 20 (5), 3018–3033. https://doi.org/10.1021/acs.cgd.9b01661. in Crystal Growth & Design. 2020;.
https://hdl.handle.net/21.15107/rcub_dais_9455 .
Ristić, Predrag, Blagojević, Vladimir A., Janjić, Goran V., Rodić, Marko, Vulić, Predrag J., Donnard, Morgan, Gulea, Mihaela, Chylewska, Agnieszka, Makowski, Mariusz, Todorović, Tamara, Filipović, Nenad R., "Supplementary data for the article: Ristić, P.; Blagojević, V.; Janjić, G.; Rodić, M.; Vulić, P.; Donnard, M.; Gulea, M.; Chylewska, A.; Makowski, M.; Todorović, T.; Filipović, N. Influence of C–H/X (X = S, Cl, N, Pt/Pd) Interactions on the Molecular and Crystal Structures of Pt(II) and Pd(II) Complexes with Thiomorpholine-4-Carbonitrile: Crystallographic, Thermal, and DFT Study. Crystal Growth & Design 2020, 20 (5), 3018–3033. https://doi.org/10.1021/acs.cgd.9b01661" in Crystal Growth & Design (2020),
https://hdl.handle.net/21.15107/rcub_dais_9455 .

Influence of C–H/X (X = S, Cl, N, Pt/Pd) Interactions on the Molecular and Crystal Structures of Pt(II) and Pd(II) Complexes with Thiomorpholine-4-carbonitrile: Crystallographic, Thermal, and DFT Study

Ristić, Predrag; Blagojević, Vladimir A.; Janjić, Goran V.; Rodić, Marko; Vulić, Predrag J.; Donnard, Morgan; Gulea, Mihaela; Chylewska, Agnieszka; Makowski, Mariusz; Todorović, Tamara; Filipović, Nenad R.

(American Chemical Society, 2020)

TY  - JOUR
AU  - Ristić, Predrag
AU  - Blagojević, Vladimir A.
AU  - Janjić, Goran V.
AU  - Rodić, Marko
AU  - Vulić, Predrag J.
AU  - Donnard, Morgan
AU  - Gulea, Mihaela
AU  - Chylewska, Agnieszka
AU  - Makowski, Mariusz
AU  - Todorović, Tamara
AU  - Filipović, Nenad R.
PY  - 2020
UR  - https://dais.sanu.ac.rs/123456789/9454
AB  - Pt(II) and Pd(II) complexes (1 and 2, respectively) with thiomorpholine-4-carbonitrile (TM-CN), an N-substituted thiomorpholine derivative, were synthesized from tetrachlorido precursors in water. Structural analysis has shown that 1 represents the first monomeric metal complex with this ligand type with an axial M-S bond with respect to the TM-CN ring chair conformation, while in 2 a typical equatorial M-S bond position with respect to the ring chair conformation was observed. A detailed DFT investigation revealed that axial conformers are more stable for molecular forms of both metals, while intermolecular interactions in the crystals stabilize the axial conformer for Pt(II) and the equatorial conformer for Pd(II). The magnitude of this stabilization in the case of 2 is large enough to change the most stable axial conformer in the molecular form to the equatorial conformer in the crystal. Further investigation of the strength of individual intermolecular interactions revealed significant differences of some interactions between the two structures. The likely cause of the difference in the crystal structures of experimentally obtained complexes is the fact that 1 and 2 exhibit different dominant interactions: C-H/M and C-H/S are more dominant in 1 and C-H/Cl interactions are more dominant in 2. In addition, DFT calculations have shown that while the axial position of the Pt-S bond with respect to the ring chair conformation results in a significantly shorter C-H/Pt interaction distance than that in the hypothetical equatorial conformer, there is very little difference in C-H/Pd interaction distances in conformers with axial and equatorial positions of Pd-S bond with respect to the ring chair conformation.
PB  - American Chemical Society
T2  - Crystal Growth & Design
T1  - Influence of C–H/X (X = S, Cl, N, Pt/Pd) Interactions on the Molecular and Crystal Structures of Pt(II) and Pd(II) Complexes with Thiomorpholine-4-carbonitrile: Crystallographic, Thermal, and DFT Study
SP  - 3018
EP  - 3033
VL  - 20
IS  - 5
DO  - 10.1021/acs.cgd.9b01661
UR  - https://hdl.handle.net/21.15107/rcub_dais_9454
ER  - 
@article{
author = "Ristić, Predrag and Blagojević, Vladimir A. and Janjić, Goran V. and Rodić, Marko and Vulić, Predrag J. and Donnard, Morgan and Gulea, Mihaela and Chylewska, Agnieszka and Makowski, Mariusz and Todorović, Tamara and Filipović, Nenad R.",
year = "2020",
abstract = "Pt(II) and Pd(II) complexes (1 and 2, respectively) with thiomorpholine-4-carbonitrile (TM-CN), an N-substituted thiomorpholine derivative, were synthesized from tetrachlorido precursors in water. Structural analysis has shown that 1 represents the first monomeric metal complex with this ligand type with an axial M-S bond with respect to the TM-CN ring chair conformation, while in 2 a typical equatorial M-S bond position with respect to the ring chair conformation was observed. A detailed DFT investigation revealed that axial conformers are more stable for molecular forms of both metals, while intermolecular interactions in the crystals stabilize the axial conformer for Pt(II) and the equatorial conformer for Pd(II). The magnitude of this stabilization in the case of 2 is large enough to change the most stable axial conformer in the molecular form to the equatorial conformer in the crystal. Further investigation of the strength of individual intermolecular interactions revealed significant differences of some interactions between the two structures. The likely cause of the difference in the crystal structures of experimentally obtained complexes is the fact that 1 and 2 exhibit different dominant interactions: C-H/M and C-H/S are more dominant in 1 and C-H/Cl interactions are more dominant in 2. In addition, DFT calculations have shown that while the axial position of the Pt-S bond with respect to the ring chair conformation results in a significantly shorter C-H/Pt interaction distance than that in the hypothetical equatorial conformer, there is very little difference in C-H/Pd interaction distances in conformers with axial and equatorial positions of Pd-S bond with respect to the ring chair conformation.",
publisher = "American Chemical Society",
journal = "Crystal Growth & Design",
title = "Influence of C–H/X (X = S, Cl, N, Pt/Pd) Interactions on the Molecular and Crystal Structures of Pt(II) and Pd(II) Complexes with Thiomorpholine-4-carbonitrile: Crystallographic, Thermal, and DFT Study",
pages = "3018-3033",
volume = "20",
number = "5",
doi = "10.1021/acs.cgd.9b01661",
url = "https://hdl.handle.net/21.15107/rcub_dais_9454"
}
Ristić, P., Blagojević, V. A., Janjić, G. V., Rodić, M., Vulić, P. J., Donnard, M., Gulea, M., Chylewska, A., Makowski, M., Todorović, T.,& Filipović, N. R.. (2020). Influence of C–H/X (X = S, Cl, N, Pt/Pd) Interactions on the Molecular and Crystal Structures of Pt(II) and Pd(II) Complexes with Thiomorpholine-4-carbonitrile: Crystallographic, Thermal, and DFT Study. in Crystal Growth & Design
American Chemical Society., 20(5), 3018-3033.
https://doi.org/10.1021/acs.cgd.9b01661
https://hdl.handle.net/21.15107/rcub_dais_9454
Ristić P, Blagojević VA, Janjić GV, Rodić M, Vulić PJ, Donnard M, Gulea M, Chylewska A, Makowski M, Todorović T, Filipović NR. Influence of C–H/X (X = S, Cl, N, Pt/Pd) Interactions on the Molecular and Crystal Structures of Pt(II) and Pd(II) Complexes with Thiomorpholine-4-carbonitrile: Crystallographic, Thermal, and DFT Study. in Crystal Growth & Design. 2020;20(5):3018-3033.
doi:10.1021/acs.cgd.9b01661
https://hdl.handle.net/21.15107/rcub_dais_9454 .
Ristić, Predrag, Blagojević, Vladimir A., Janjić, Goran V., Rodić, Marko, Vulić, Predrag J., Donnard, Morgan, Gulea, Mihaela, Chylewska, Agnieszka, Makowski, Mariusz, Todorović, Tamara, Filipović, Nenad R., "Influence of C–H/X (X = S, Cl, N, Pt/Pd) Interactions on the Molecular and Crystal Structures of Pt(II) and Pd(II) Complexes with Thiomorpholine-4-carbonitrile: Crystallographic, Thermal, and DFT Study" in Crystal Growth & Design, 20, no. 5 (2020):3018-3033,
https://doi.org/10.1021/acs.cgd.9b01661 .,
https://hdl.handle.net/21.15107/rcub_dais_9454 .
1
4
3
4

Influence of C–H/X (X = S, Cl, N, Pt/Pd) Interactions on the Molecular and Crystal Structures of Pt(II) and Pd(II) Complexes with Thiomorpholine-4-carbonitrile: Crystallographic, Thermal, and DFT Study

Ristić, Predrag; Blagojević, Vladimir A.; Janjić, Goran V.; Rodić, Marko; Vulić, Predrag J.; Donnard, Morgan; Gulea, Mihaela; Chylewska, Agnieszka; Makowski, Mariusz; Todorović, Tamara; Filipović, Nenad R.

(American Chemical Society, 2020)

TY  - JOUR
AU  - Ristić, Predrag
AU  - Blagojević, Vladimir A.
AU  - Janjić, Goran V.
AU  - Rodić, Marko
AU  - Vulić, Predrag J.
AU  - Donnard, Morgan
AU  - Gulea, Mihaela
AU  - Chylewska, Agnieszka
AU  - Makowski, Mariusz
AU  - Todorović, Tamara
AU  - Filipović, Nenad R.
PY  - 2020
UR  - https://dais.sanu.ac.rs/123456789/9453
AB  - Pt(II) and Pd(II) complexes (1 and 2, respectively) with thiomorpholine-4-carbonitrile (TM-CN), an N-substituted thiomorpholine derivative, were synthesized from tetrachlorido precursors in water. Structural analysis has shown that 1 represents the first monomeric metal complex with this ligand type with an axial M-S bond with respect to the TM-CN ring chair conformation, while in 2 a typical equatorial M-S bond position with respect to the ring chair conformation was observed. A detailed DFT investigation revealed that axial conformers are more stable for molecular forms of both metals, while intermolecular interactions in the crystals stabilize the axial conformer for Pt(II) and the equatorial conformer for Pd(II). The magnitude of this stabilization in the case of 2 is large enough to change the most stable axial conformer in the molecular form to the equatorial conformer in the crystal. Further investigation of the strength of individual intermolecular interactions revealed significant differences of some interactions between the two structures. The likely cause of the difference in the crystal structures of experimentally obtained complexes is the fact that 1 and 2 exhibit different dominant interactions: C-H/M and C-H/S are more dominant in 1 and C-H/Cl interactions are more dominant in 2. In addition, DFT calculations have shown that while the axial position of the Pt-S bond with respect to the ring chair conformation results in a significantly shorter C-H/Pt interaction distance than that in the hypothetical equatorial conformer, there is very little difference in C-H/Pd interaction distances in conformers with axial and equatorial positions of Pd-S bond with respect to the ring chair conformation.
PB  - American Chemical Society
T2  - Crystal Growth & Design
T1  - Influence of C–H/X (X = S, Cl, N, Pt/Pd) Interactions on the Molecular and Crystal Structures of Pt(II) and Pd(II) Complexes with Thiomorpholine-4-carbonitrile: Crystallographic, Thermal, and DFT Study
SP  - 3018
EP  - 3033
VL  - 20
IS  - 5
DO  - 10.1021/acs.cgd.9b01661
UR  - https://hdl.handle.net/21.15107/rcub_dais_9453
ER  - 
@article{
author = "Ristić, Predrag and Blagojević, Vladimir A. and Janjić, Goran V. and Rodić, Marko and Vulić, Predrag J. and Donnard, Morgan and Gulea, Mihaela and Chylewska, Agnieszka and Makowski, Mariusz and Todorović, Tamara and Filipović, Nenad R.",
year = "2020",
abstract = "Pt(II) and Pd(II) complexes (1 and 2, respectively) with thiomorpholine-4-carbonitrile (TM-CN), an N-substituted thiomorpholine derivative, were synthesized from tetrachlorido precursors in water. Structural analysis has shown that 1 represents the first monomeric metal complex with this ligand type with an axial M-S bond with respect to the TM-CN ring chair conformation, while in 2 a typical equatorial M-S bond position with respect to the ring chair conformation was observed. A detailed DFT investigation revealed that axial conformers are more stable for molecular forms of both metals, while intermolecular interactions in the crystals stabilize the axial conformer for Pt(II) and the equatorial conformer for Pd(II). The magnitude of this stabilization in the case of 2 is large enough to change the most stable axial conformer in the molecular form to the equatorial conformer in the crystal. Further investigation of the strength of individual intermolecular interactions revealed significant differences of some interactions between the two structures. The likely cause of the difference in the crystal structures of experimentally obtained complexes is the fact that 1 and 2 exhibit different dominant interactions: C-H/M and C-H/S are more dominant in 1 and C-H/Cl interactions are more dominant in 2. In addition, DFT calculations have shown that while the axial position of the Pt-S bond with respect to the ring chair conformation results in a significantly shorter C-H/Pt interaction distance than that in the hypothetical equatorial conformer, there is very little difference in C-H/Pd interaction distances in conformers with axial and equatorial positions of Pd-S bond with respect to the ring chair conformation.",
publisher = "American Chemical Society",
journal = "Crystal Growth & Design",
title = "Influence of C–H/X (X = S, Cl, N, Pt/Pd) Interactions on the Molecular and Crystal Structures of Pt(II) and Pd(II) Complexes with Thiomorpholine-4-carbonitrile: Crystallographic, Thermal, and DFT Study",
pages = "3018-3033",
volume = "20",
number = "5",
doi = "10.1021/acs.cgd.9b01661",
url = "https://hdl.handle.net/21.15107/rcub_dais_9453"
}
Ristić, P., Blagojević, V. A., Janjić, G. V., Rodić, M., Vulić, P. J., Donnard, M., Gulea, M., Chylewska, A., Makowski, M., Todorović, T.,& Filipović, N. R.. (2020). Influence of C–H/X (X = S, Cl, N, Pt/Pd) Interactions on the Molecular and Crystal Structures of Pt(II) and Pd(II) Complexes with Thiomorpholine-4-carbonitrile: Crystallographic, Thermal, and DFT Study. in Crystal Growth & Design
American Chemical Society., 20(5), 3018-3033.
https://doi.org/10.1021/acs.cgd.9b01661
https://hdl.handle.net/21.15107/rcub_dais_9453
Ristić P, Blagojević VA, Janjić GV, Rodić M, Vulić PJ, Donnard M, Gulea M, Chylewska A, Makowski M, Todorović T, Filipović NR. Influence of C–H/X (X = S, Cl, N, Pt/Pd) Interactions on the Molecular and Crystal Structures of Pt(II) and Pd(II) Complexes with Thiomorpholine-4-carbonitrile: Crystallographic, Thermal, and DFT Study. in Crystal Growth & Design. 2020;20(5):3018-3033.
doi:10.1021/acs.cgd.9b01661
https://hdl.handle.net/21.15107/rcub_dais_9453 .
Ristić, Predrag, Blagojević, Vladimir A., Janjić, Goran V., Rodić, Marko, Vulić, Predrag J., Donnard, Morgan, Gulea, Mihaela, Chylewska, Agnieszka, Makowski, Mariusz, Todorović, Tamara, Filipović, Nenad R., "Influence of C–H/X (X = S, Cl, N, Pt/Pd) Interactions on the Molecular and Crystal Structures of Pt(II) and Pd(II) Complexes with Thiomorpholine-4-carbonitrile: Crystallographic, Thermal, and DFT Study" in Crystal Growth & Design, 20, no. 5 (2020):3018-3033,
https://doi.org/10.1021/acs.cgd.9b01661 .,
https://hdl.handle.net/21.15107/rcub_dais_9453 .
1
4
3
4