TY  - JOUR
AU  - Araškov, Jovana B.
AU  - Višnjevac, Aleksandar
AU  - Popović, Jasminka
AU  - Blagojević, Vladimir
AU  - Fernandes, Henrique S.
AU  - Sousa, Sérgio F.
AU  - Novaković, Irena
AU  - Padrón, José M.
AU  - Holló, Berta Barta
AU  - Monge, Miguel
AU  - Rodríguez-Castillo, María
AU  - López-de-Luzuriaga, José M.
AU  - Filipović, Nenad R.
AU  - Todorović, Tamara R.
PY  - 2022
UR  - https://dais.sanu.ac.rs/123456789/13441
AB  - Earth-abundant, cheap and non-toxic zinc-based coordination compounds are drawing research attention as promising candidates for various applications, such as photoluminescent materials and anticancer agents. In this paper we report six zinc complexes (1–3-NO3 and 1–3-Cl) with pyridyl-based thiazolyl–hydrazone ligands, which differ in the nature of substituents at the ligands' periphery, anion type, and geometry around the metal ion. The complexes were characterized by single-crystal and powder X-ray diffraction analysis, as well as IR and NMR spectroscopy. The symmetrical complexes 2-Cl and 3-Cl, where zinc atoms are located at a two-fold axis, do not exhibit photophysical properties, unlike their asymmetrical analogs 2-NO3 and 3-NO3 with the same complex cation. Asymmetrical pentacoordinated 1-Cl and hexacoordinated 1-NO3 complexes exhibit photophysical properties. An admixture of allowed intra-ligand (1IL) and chloro (X)-to-ligand charge-transfer (1XLCT) electronic transitions is responsible for the fluorescence of the 1-Cl complex. The origin of the emission of the 1-NO3 complex is ascribed to an admixture of 3IL and ligand-to-ligand charge-transfer (3LLCT) forbidden electronic transitions, while for 3-NO3 most electronic excitations are of LLCT character. The thermal stability of the complexes is in accord with the strength of respective intermolecular interactions. The antiproliferative activity of the complexes was in the nanomolar range on some of the investigated cancer cell lines. Contrary to the increase of antiproliferative activity of the complexes in comparison to the free ligands in cancer cell lines, an acute toxicity determined in the brine shrimp assay follows the opposite trend. The overall results suggest that Zn(II) thiazoyl–hydrazone complexes have considerable potential as multifunctional materials.
T2  - CrystEngComm
T2  - CrystEngCommCrystEngComm
T1  - Zn(II) complexes with thiazolyl–hydrazones: structure, intermolecular interactions, photophysical properties, computational study and anticancer activity
DO  - 10.1039/D2CE00443G
UR  - https://hdl.handle.net/21.15107/rcub_dais_13441
ER  - 

@article{
author = "Araškov, Jovana B. and Višnjevac, Aleksandar and Popović, Jasminka and Blagojević, Vladimir and Fernandes, Henrique S. and Sousa, Sérgio F. and Novaković, Irena and Padrón, José M. and Holló, Berta Barta and Monge, Miguel and Rodríguez-Castillo, María and López-de-Luzuriaga, José M. and Filipović, Nenad R. and Todorović, Tamara R.",
year = "2022",
abstract = "Earth-abundant, cheap and non-toxic zinc-based coordination compounds are drawing research attention as promising candidates for various applications, such as photoluminescent materials and anticancer agents. In this paper we report six zinc complexes (1–3-NO3 and 1–3-Cl) with pyridyl-based thiazolyl–hydrazone ligands, which differ in the nature of substituents at the ligands' periphery, anion type, and geometry around the metal ion. The complexes were characterized by single-crystal and powder X-ray diffraction analysis, as well as IR and NMR spectroscopy. The symmetrical complexes 2-Cl and 3-Cl, where zinc atoms are located at a two-fold axis, do not exhibit photophysical properties, unlike their asymmetrical analogs 2-NO3 and 3-NO3 with the same complex cation. Asymmetrical pentacoordinated 1-Cl and hexacoordinated 1-NO3 complexes exhibit photophysical properties. An admixture of allowed intra-ligand (1IL) and chloro (X)-to-ligand charge-transfer (1XLCT) electronic transitions is responsible for the fluorescence of the 1-Cl complex. The origin of the emission of the 1-NO3 complex is ascribed to an admixture of 3IL and ligand-to-ligand charge-transfer (3LLCT) forbidden electronic transitions, while for 3-NO3 most electronic excitations are of LLCT character. The thermal stability of the complexes is in accord with the strength of respective intermolecular interactions. The antiproliferative activity of the complexes was in the nanomolar range on some of the investigated cancer cell lines. Contrary to the increase of antiproliferative activity of the complexes in comparison to the free ligands in cancer cell lines, an acute toxicity determined in the brine shrimp assay follows the opposite trend. The overall results suggest that Zn(II) thiazoyl–hydrazone complexes have considerable potential as multifunctional materials.",
journal = "CrystEngComm, CrystEngCommCrystEngComm",
title = "Zn(II) complexes with thiazolyl–hydrazones: structure, intermolecular interactions, photophysical properties, computational study and anticancer activity",
doi = "10.1039/D2CE00443G",
url = "https://hdl.handle.net/21.15107/rcub_dais_13441"
}

Araškov, J. B., Višnjevac, A., Popović, J., Blagojević, V., Fernandes, H. S., Sousa, S. F., Novaković, I., Padrón, J. M., Holló, B. B., Monge, M., Rodríguez-Castillo, M., López-de-Luzuriaga, J. M., Filipović, N. R.,& Todorović, T. R.. (2022). Zn(II) complexes with thiazolyl–hydrazones: structure, intermolecular interactions, photophysical properties, computational study and anticancer activity. in CrystEngComm.
https://doi.org/10.1039/D2CE00443G
https://hdl.handle.net/21.15107/rcub_dais_13441

Araškov JB, Višnjevac A, Popović J, Blagojević V, Fernandes HS, Sousa SF, Novaković I, Padrón JM, Holló BB, Monge M, Rodríguez-Castillo M, López-de-Luzuriaga JM, Filipović NR, Todorović TR. Zn(II) complexes with thiazolyl–hydrazones: structure, intermolecular interactions, photophysical properties, computational study and anticancer activity. in CrystEngComm. 2022;.
doi:10.1039/D2CE00443G
https://hdl.handle.net/21.15107/rcub_dais_13441 .

Araškov, Jovana B., Višnjevac, Aleksandar, Popović, Jasminka, Blagojević, Vladimir, Fernandes, Henrique S., Sousa, Sérgio F., Novaković, Irena, Padrón, José M., Holló, Berta Barta, Monge, Miguel, Rodríguez-Castillo, María, López-de-Luzuriaga, José M., Filipović, Nenad R., Todorović, Tamara R., "Zn(II) complexes with thiazolyl–hydrazones: structure, intermolecular interactions, photophysical properties, computational study and anticancer activity" in CrystEngComm (2022),
https://doi.org/10.1039/D2CE00443G .,
https://hdl.handle.net/21.15107/rcub_dais_13441 .

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 .

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 .

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 .

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 .

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 .

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 .

TY  - JOUR
AU  - Begović, Nebojša N.
AU  - Vasić, Milica M.
AU  - Blagojević, Vladimir A.
AU  - Filipović, Nenad R.
AU  - Marinković, Aleksandar D.
AU  - Malešević, Aleksandar
AU  - Minić, Dragica M.
PY  - 2017
UR  - https://dais.sanu.ac.rs/123456789/16012
AB  - The structure of new cis-dichloro[(E)-ethyl-2-(2-((8-hydroxyquinolin-2-il)methylene)hidrazinyl)acetate-κ2 N]-palladium(II) complex was determined using a combination of XRD and IR measurements and DFT calculations. Inherent flexibility of its structure is evident from the complexity of its IR spectrum, which could only be theoretically reproduced as a combination of several closely related structures, involving rotation around C–O bond and changes in hydrogen interactions of its –OH group. Its thermal stability and decomposition were studied non-isothermally, and the thermal decomposition mechanism was proposed using correlation with DFT calculations at the molecular level. It was determined that the initial degradation step consists of the release of Cl free radical, which then reacts with both the initial compound and the degradation products. Besides the endothermic steps, there are exothermic ones, contributing to the complex shape of the DSC curve, consisted of overlapping endothermic and exothermic peaks. Deconvolution of DTG curve allowed identification of primary fragments of the initial degradation process and, in conjunction with DFT calculations, construction of the most likely reaction mechanism.
PB  - Springer Netherlands
T2  - Journal of Thermal Analysis and Calorimetry
T1  - Synthesis and thermal stability of cis-dichloro[(E)-ethyl-2-(2-((8-hydroxyquinolin-2-il)methylene)hidrazinyl)acetate-κ2 N]-palladium(II) complex
SP  - 701
EP  - 711
VL  - 130
IS  - 2
DO  - 10.1007/s10973-017-6458-2
UR  - https://hdl.handle.net/21.15107/rcub_dais_16012
ER  - 

@article{
author = "Begović, Nebojša N. and Vasić, Milica M. and Blagojević, Vladimir A. and Filipović, Nenad R. and Marinković, Aleksandar D. and Malešević, Aleksandar and Minić, Dragica M.",
year = "2017",
abstract = "The structure of new cis-dichloro[(E)-ethyl-2-(2-((8-hydroxyquinolin-2-il)methylene)hidrazinyl)acetate-κ2 N]-palladium(II) complex was determined using a combination of XRD and IR measurements and DFT calculations. Inherent flexibility of its structure is evident from the complexity of its IR spectrum, which could only be theoretically reproduced as a combination of several closely related structures, involving rotation around C–O bond and changes in hydrogen interactions of its –OH group. Its thermal stability and decomposition were studied non-isothermally, and the thermal decomposition mechanism was proposed using correlation with DFT calculations at the molecular level. It was determined that the initial degradation step consists of the release of Cl free radical, which then reacts with both the initial compound and the degradation products. Besides the endothermic steps, there are exothermic ones, contributing to the complex shape of the DSC curve, consisted of overlapping endothermic and exothermic peaks. Deconvolution of DTG curve allowed identification of primary fragments of the initial degradation process and, in conjunction with DFT calculations, construction of the most likely reaction mechanism.",
publisher = "Springer Netherlands",
journal = "Journal of Thermal Analysis and Calorimetry",
title = "Synthesis and thermal stability of cis-dichloro[(E)-ethyl-2-(2-((8-hydroxyquinolin-2-il)methylene)hidrazinyl)acetate-κ2 N]-palladium(II) complex",
pages = "701-711",
volume = "130",
number = "2",
doi = "10.1007/s10973-017-6458-2",
url = "https://hdl.handle.net/21.15107/rcub_dais_16012"
}

Begović, N. N., Vasić, M. M., Blagojević, V. A., Filipović, N. R., Marinković, A. D., Malešević, A.,& Minić, D. M.. (2017). Synthesis and thermal stability of cis-dichloro[(E)-ethyl-2-(2-((8-hydroxyquinolin-2-il)methylene)hidrazinyl)acetate-κ2 N]-palladium(II) complex. in Journal of Thermal Analysis and Calorimetry
Springer Netherlands., 130(2), 701-711.
https://doi.org/10.1007/s10973-017-6458-2
https://hdl.handle.net/21.15107/rcub_dais_16012

Begović NN, Vasić MM, Blagojević VA, Filipović NR, Marinković AD, Malešević A, Minić DM. Synthesis and thermal stability of cis-dichloro[(E)-ethyl-2-(2-((8-hydroxyquinolin-2-il)methylene)hidrazinyl)acetate-κ2 N]-palladium(II) complex. in Journal of Thermal Analysis and Calorimetry. 2017;130(2):701-711.
doi:10.1007/s10973-017-6458-2
https://hdl.handle.net/21.15107/rcub_dais_16012 .

Begović, Nebojša N., Vasić, Milica M., Blagojević, Vladimir A., Filipović, Nenad R., Marinković, Aleksandar D., Malešević, Aleksandar, Minić, Dragica M., "Synthesis and thermal stability of cis-dichloro[(E)-ethyl-2-(2-((8-hydroxyquinolin-2-il)methylene)hidrazinyl)acetate-κ2 N]-palladium(II) complex" in Journal of Thermal Analysis and Calorimetry, 130, no. 2 (2017):701-711,
https://doi.org/10.1007/s10973-017-6458-2 .,
https://hdl.handle.net/21.15107/rcub_dais_16012 .

TY  - JOUR
AU  - Filipović, Nenad R.
AU  - Bjelogrlić, Snežana
AU  - Todorović, Tamara R.
AU  - Blagojević, Vladimir A.
AU  - Muller,  Christian D.
AU  - Marinković, Aleksandar
AU  - Vujčić, Miroslava
AU  - Janović, Barbara
AU  - Malešević, Aleksandar
AU  - Begović, Nebojša N.
AU  - Senćanski, Milan
AU  - Minić, Dragica M.
PY  - 2016
UR  - https://dais.sanu.ac.rs/123456789/2309
AB  - A new Ni(II) complex, [Ni(L)(H2O)] (1), with diethyl 3,3′-(2,2′-(1,1′-(pyridine-2,6-diyl)bis(ethan-1-yl-1-ylidene))bis(hydrazin-1-yl-2-ylidene))bis(3-oxopropanoate) ligand (H2L) was synthesized as a potential chemotherapeutic agent. Polidentate ligand was coordinated to Ni(II) NNN-tridentately, in dianionic form, while monodentate water coordination completed square-planar geometry around metal. Structure in the solution was determined by NMR spectroscopy and the same coordination mode was observed in the solid state using IR spectroscopy and further verified by DFT calculations and electrochemical studies. Thermal stability of 1 was determined in both air and nitrogen atmosphere. Anticancer activity of 1 was investigated on acute monocytic leukemia (THP-1) and pancreatic adenocarcinoma (AsPC-1) cell lines. On THP-1 cells 1 induced powerful apoptotic response (ED50 = 10 ± 3 μM), which was revealed to be only partially caspase-dependent, with activation of caspase-8 as the dominant course. This suggested that experimentally validated covalent binding of 1 to DNA is not the only mechanism responsible for programmed cell death. This was supported with experiments on AsPC-1 cells. Although treatment of those cells with 1 resulted in poor apoptotic response, cell cycle changes showed concentration-dependent shifts indicating a dual mechanism of activity. This study also reviews the results of preliminary biological screening, which demonstrates that 1 displays a unique pattern of anticancer activity with at least two mechanisms involved.
PB  - Royal Society of Chemistry
T2  - RSC Advances
T1  - Ni(II) complex with bishydrazone ligand: synthesis, characterization, DNA binding studies and pro-apoptotic and pro-differentiation induction in human cancerous cell lines
SP  - 108726
EP  - 108740
VL  - 6
DO  - 10.1039/C6RA24604D
UR  - https://hdl.handle.net/21.15107/rcub_dais_2309
ER  - 

@article{
author = "Filipović, Nenad R. and Bjelogrlić, Snežana and Todorović, Tamara R. and Blagojević, Vladimir A. and Muller,  Christian D. and Marinković, Aleksandar and Vujčić, Miroslava and Janović, Barbara and Malešević, Aleksandar and Begović, Nebojša N. and Senćanski, Milan and Minić, Dragica M.",
year = "2016",
abstract = "A new Ni(II) complex, [Ni(L)(H2O)] (1), with diethyl 3,3′-(2,2′-(1,1′-(pyridine-2,6-diyl)bis(ethan-1-yl-1-ylidene))bis(hydrazin-1-yl-2-ylidene))bis(3-oxopropanoate) ligand (H2L) was synthesized as a potential chemotherapeutic agent. Polidentate ligand was coordinated to Ni(II) NNN-tridentately, in dianionic form, while monodentate water coordination completed square-planar geometry around metal. Structure in the solution was determined by NMR spectroscopy and the same coordination mode was observed in the solid state using IR spectroscopy and further verified by DFT calculations and electrochemical studies. Thermal stability of 1 was determined in both air and nitrogen atmosphere. Anticancer activity of 1 was investigated on acute monocytic leukemia (THP-1) and pancreatic adenocarcinoma (AsPC-1) cell lines. On THP-1 cells 1 induced powerful apoptotic response (ED50 = 10 ± 3 μM), which was revealed to be only partially caspase-dependent, with activation of caspase-8 as the dominant course. This suggested that experimentally validated covalent binding of 1 to DNA is not the only mechanism responsible for programmed cell death. This was supported with experiments on AsPC-1 cells. Although treatment of those cells with 1 resulted in poor apoptotic response, cell cycle changes showed concentration-dependent shifts indicating a dual mechanism of activity. This study also reviews the results of preliminary biological screening, which demonstrates that 1 displays a unique pattern of anticancer activity with at least two mechanisms involved.",
publisher = "Royal Society of Chemistry",
journal = "RSC Advances",
title = "Ni(II) complex with bishydrazone ligand: synthesis, characterization, DNA binding studies and pro-apoptotic and pro-differentiation induction in human cancerous cell lines",
pages = "108726-108740",
volume = "6",
doi = "10.1039/C6RA24604D",
url = "https://hdl.handle.net/21.15107/rcub_dais_2309"
}

Filipović, N. R., Bjelogrlić, S., Todorović, T. R., Blagojević, V. A., Muller, C. D., Marinković, A., Vujčić, M., Janović, B., Malešević, A., Begović, N. N., Senćanski, M.,& Minić, D. M.. (2016). Ni(II) complex with bishydrazone ligand: synthesis, characterization, DNA binding studies and pro-apoptotic and pro-differentiation induction in human cancerous cell lines. in RSC Advances
Royal Society of Chemistry., 6, 108726-108740.
https://doi.org/10.1039/C6RA24604D
https://hdl.handle.net/21.15107/rcub_dais_2309

Filipović NR, Bjelogrlić S, Todorović TR, Blagojević VA, Muller CD, Marinković A, Vujčić M, Janović B, Malešević A, Begović NN, Senćanski M, Minić DM. Ni(II) complex with bishydrazone ligand: synthesis, characterization, DNA binding studies and pro-apoptotic and pro-differentiation induction in human cancerous cell lines. in RSC Advances. 2016;6:108726-108740.
doi:10.1039/C6RA24604D
https://hdl.handle.net/21.15107/rcub_dais_2309 .

Filipović, Nenad R., Bjelogrlić, Snežana, Todorović, Tamara R., Blagojević, Vladimir A., Muller,  Christian D., Marinković, Aleksandar, Vujčić, Miroslava, Janović, Barbara, Malešević, Aleksandar, Begović, Nebojša N., Senćanski, Milan, Minić, Dragica M., "Ni(II) complex with bishydrazone ligand: synthesis, characterization, DNA binding studies and pro-apoptotic and pro-differentiation induction in human cancerous cell lines" in RSC Advances, 6 (2016):108726-108740,
https://doi.org/10.1039/C6RA24604D .,
https://hdl.handle.net/21.15107/rcub_dais_2309 .

TY  - JOUR
AU  - Filipović, Nenad R.
AU  - Bjelogrlić, Snežana
AU  - Todorović, Tamara R.
AU  - Blagojević, Vladimir A.
AU  - Muller, Christian D.
AU  - Marinković, Aleksandar
AU  - Vujčić, Miroslava
AU  - Janović, Barbara
AU  - Malešević, Aleksandar
AU  - Begović, Nebojša N.
AU  - Senćanski, Milan
AU  - Minić, Dragica M.
PY  - 2016
UR  - https://dais.sanu.ac.rs/123456789/860
AB  - A new Ni(II) complex, [Ni(L)(H2O)] (1), with diethyl 3,3'-(2,2'-(1,1'-(pyridine-2,6-diyl)bis(ethan-1-yl-1-ylidene))bis(hydrazin-1-yl-2-ylidene))bis(3-oxopropanoate) ligand (H2L) was synthesized as a potential chemotherapeutic agent. Polidentate ligand was coordinated to Ni(II) NNN-tridentately, in dianionic form, while monodentate water coordination completed square-planar geometry around metal. Structure in the solution was determined by NMR spectroscopy and the same coordination mode was observed in the solid state using IR spectroscopy and further verified by DFT calculations and electrochemical studies. Thermal stability of 1 was determined in both air and nitrogen atmosphere. Anticancer activity of 1 was investigated on acute monocytic leukemia (THP-1) and pancreatic adenocarcinoma (AsPC-1) cell lines. On THP-1 cells 1 induced powerful apoptotic response (ED50 = 10 ± 3 µM), which was revealed to be only partially caspase-dependent, with activation of caspase-8 as the dominant course. This suggested that experimentally validated covalent binding of 1 to DNA is not the only mechanism responsible for programmed cell death. This was supported with experiments on AsPC-1 cells. Although treatment of those cells with 1 resulted in poor apoptotic response, cell cycle changes showed concentration-dependent shifts indicating a dual mechanism of activity. This study also reviews the results of preliminary biological screening, which demonstrates that 1 displays a unique pattern of anticancer activity with at least two mechanisms involved.

The authors acknowledge networking support by the COST Action CM1106 StemChem – “Chemical Approaches to Targeting Drug Resistance in Cancer Stem Cells”. The work was funded by the Ministry of Education, Science and Technological Development of the Republic of Serbia (Grant 172055).
T2  - RSC Advances
T1  - Ni(II) complex with bishydrazone ligand: synthesis, characterization, DNA binding studies and pro–apoptotic and pro–differentiation induction in human cancerous cell lines
SP  - 108726
EP  - 108740
VL  - 110
VL  - 6
DO  - 10.1039/C6RA24604D
UR  - https://hdl.handle.net/21.15107/rcub_dais_860
ER  - 

@article{
author = "Filipović, Nenad R. and Bjelogrlić, Snežana and Todorović, Tamara R. and Blagojević, Vladimir A. and Muller, Christian D. and Marinković, Aleksandar and Vujčić, Miroslava and Janović, Barbara and Malešević, Aleksandar and Begović, Nebojša N. and Senćanski, Milan and Minić, Dragica M.",
year = "2016",
abstract = "A new Ni(II) complex, [Ni(L)(H2O)] (1), with diethyl 3,3'-(2,2'-(1,1'-(pyridine-2,6-diyl)bis(ethan-1-yl-1-ylidene))bis(hydrazin-1-yl-2-ylidene))bis(3-oxopropanoate) ligand (H2L) was synthesized as a potential chemotherapeutic agent. Polidentate ligand was coordinated to Ni(II) NNN-tridentately, in dianionic form, while monodentate water coordination completed square-planar geometry around metal. Structure in the solution was determined by NMR spectroscopy and the same coordination mode was observed in the solid state using IR spectroscopy and further verified by DFT calculations and electrochemical studies. Thermal stability of 1 was determined in both air and nitrogen atmosphere. Anticancer activity of 1 was investigated on acute monocytic leukemia (THP-1) and pancreatic adenocarcinoma (AsPC-1) cell lines. On THP-1 cells 1 induced powerful apoptotic response (ED50 = 10 ± 3 µM), which was revealed to be only partially caspase-dependent, with activation of caspase-8 as the dominant course. This suggested that experimentally validated covalent binding of 1 to DNA is not the only mechanism responsible for programmed cell death. This was supported with experiments on AsPC-1 cells. Although treatment of those cells with 1 resulted in poor apoptotic response, cell cycle changes showed concentration-dependent shifts indicating a dual mechanism of activity. This study also reviews the results of preliminary biological screening, which demonstrates that 1 displays a unique pattern of anticancer activity with at least two mechanisms involved.

The authors acknowledge networking support by the COST Action CM1106 StemChem – “Chemical Approaches to Targeting Drug Resistance in Cancer Stem Cells”. The work was funded by the Ministry of Education, Science and Technological Development of the Republic of Serbia (Grant 172055).",
journal = "RSC Advances",
title = "Ni(II) complex with bishydrazone ligand: synthesis, characterization, DNA binding studies and pro–apoptotic and pro–differentiation induction in human cancerous cell lines",
pages = "108726-108740",
volume = "110, 6",
doi = "10.1039/C6RA24604D",
url = "https://hdl.handle.net/21.15107/rcub_dais_860"
}

Filipović, N. R., Bjelogrlić, S., Todorović, T. R., Blagojević, V. A., Muller, C. D., Marinković, A., Vujčić, M., Janović, B., Malešević, A., Begović, N. N., Senćanski, M.,& Minić, D. M.. (2016). Ni(II) complex with bishydrazone ligand: synthesis, characterization, DNA binding studies and pro–apoptotic and pro–differentiation induction in human cancerous cell lines. in RSC Advances, 110, 108726-108740.
https://doi.org/10.1039/C6RA24604D
https://hdl.handle.net/21.15107/rcub_dais_860

Filipović NR, Bjelogrlić S, Todorović TR, Blagojević VA, Muller CD, Marinković A, Vujčić M, Janović B, Malešević A, Begović NN, Senćanski M, Minić DM. Ni(II) complex with bishydrazone ligand: synthesis, characterization, DNA binding studies and pro–apoptotic and pro–differentiation induction in human cancerous cell lines. in RSC Advances. 2016;110:108726-108740.
doi:10.1039/C6RA24604D
https://hdl.handle.net/21.15107/rcub_dais_860 .

Filipović, Nenad R., Bjelogrlić, Snežana, Todorović, Tamara R., Blagojević, Vladimir A., Muller, Christian D., Marinković, Aleksandar, Vujčić, Miroslava, Janović, Barbara, Malešević, Aleksandar, Begović, Nebojša N., Senćanski, Milan, Minić, Dragica M., "Ni(II) complex with bishydrazone ligand: synthesis, characterization, DNA binding studies and pro–apoptotic and pro–differentiation induction in human cancerous cell lines" in RSC Advances, 110 (2016):108726-108740,
https://doi.org/10.1039/C6RA24604D .,
https://hdl.handle.net/21.15107/rcub_dais_860 .