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
Authors
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.

Dataset (Published version)
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Show full item recordAbstract
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 thermogravime...tric 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.
Keywords:
coordination polymers / crystalographic data / crystalographic refinementSource:
Crystal Growth & Design, 2020Publisher:
- American Chemical Society
Funding / projects:
- Ministry of Education, Science and Technological Development, Republic of Serbia, Grant no. 200116 (University of Belgrade, Faculty of Agriculture) (RS-200116)
- Ministry of Education, Science and Technological Development, Republic of Serbia, Grant no. 200168 (University of Belgrade, Faculty of Chemistry) (RS-200168)
- The DGI(MEC)/FEDER (CTQ2016-75816-C02-02-P)
Note:
- Supplementary material for: http://dx.doi.org/10.1021/acs.cgd.0c00287
- Related to published version: https://hdl.handle.net/21.15107/rcub_dais_8960
- Related to accepted version: https://hdl.handle.net/21.15107/rcub_dais_8956
Related info:
- Referenced by
http://dx.doi.org/10.1021/acs.cgd.0c00287 - Referenced by
https://hdl.handle.net/21.15107/rcub_dais_8960 - Referenced by
https://hdl.handle.net/21.15107/rcub_dais_8956
Institution/Community
Институт техничких наука САНУ / Institute of Technical Sciences of SASATY - 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 .