Substituent and solvent effects on intramolecular charge transfer of 5-arylidene-2,4-thiazolidinediones
Samo za registrovane korisnike
2012
Autori
Rančić, MilicaTrišović, Nemanja P.
Milčić, Miloš K.
Uscumlic, Gordana
Marinković, Aleksandar
Članak u časopisu (Objavljena verzija)
Metapodaci
Prikaz svih podataka o dokumentuApstrakt
The absorption spectra of twelve 5-arylidene-2,4-thiazolidinediones were recorded in twenty one solvents in the range from 300 to 600 nm. The effect of specific and non-specific solvent-solute interactions on the absorption maxima shifts were evaluated by using the Catalan solvent parameter set. Furthermore, the experimental findings were interpreted with the aid of ab initio MP2 and time-dependent density functional (TD-DFT) methods. It was found that different substituents significantly change the extent of conjugation in the molecules and further affect their intramolecular charge transfer character. (C) 2011 Elsevier B.V. All rights reserved.
Ključne reči:
5-arylidene-2,4-thiazolidinediones / Absorption spectra / Solvent effects / Substituent effects / Ab initio MO calculationIzvor:
Spectrochimica Acta. Part A: Molecular and Biomolecular Spectroscopy, 2012, 86, 500-507Izdavač:
- Pergamon-Elsevier Science Ltd, Oxford
Finansiranje / projekti:
- Proučavanje sinteze, strukture i aktivnosti organskih jedinjenja prirodnog i sintetskog porekla (RS-172013)
DOI: 10.1016/j.saa.2011.10.074
ISSN: 1386-1425
PubMed: 22153743
WoS: 000300515500074
Scopus: 2-s2.0-83655201514
Kolekcije
Institucija/grupa
Hemijski fakultet / Faculty of ChemistryTY - JOUR AU - Rančić, Milica AU - Trišović, Nemanja P. AU - Milčić, Miloš K. AU - Uscumlic, Gordana AU - Marinković, Aleksandar PY - 2012 UR - https://cherry.chem.bg.ac.rs/handle/123456789/1252 AB - The absorption spectra of twelve 5-arylidene-2,4-thiazolidinediones were recorded in twenty one solvents in the range from 300 to 600 nm. The effect of specific and non-specific solvent-solute interactions on the absorption maxima shifts were evaluated by using the Catalan solvent parameter set. Furthermore, the experimental findings were interpreted with the aid of ab initio MP2 and time-dependent density functional (TD-DFT) methods. It was found that different substituents significantly change the extent of conjugation in the molecules and further affect their intramolecular charge transfer character. (C) 2011 Elsevier B.V. All rights reserved. PB - Pergamon-Elsevier Science Ltd, Oxford T2 - Spectrochimica Acta. Part A: Molecular and Biomolecular Spectroscopy T1 - Substituent and solvent effects on intramolecular charge transfer of 5-arylidene-2,4-thiazolidinediones VL - 86 SP - 500 EP - 507 DO - 10.1016/j.saa.2011.10.074 ER -
@article{ author = "Rančić, Milica and Trišović, Nemanja P. and Milčić, Miloš K. and Uscumlic, Gordana and Marinković, Aleksandar", year = "2012", abstract = "The absorption spectra of twelve 5-arylidene-2,4-thiazolidinediones were recorded in twenty one solvents in the range from 300 to 600 nm. The effect of specific and non-specific solvent-solute interactions on the absorption maxima shifts were evaluated by using the Catalan solvent parameter set. Furthermore, the experimental findings were interpreted with the aid of ab initio MP2 and time-dependent density functional (TD-DFT) methods. It was found that different substituents significantly change the extent of conjugation in the molecules and further affect their intramolecular charge transfer character. (C) 2011 Elsevier B.V. All rights reserved.", publisher = "Pergamon-Elsevier Science Ltd, Oxford", journal = "Spectrochimica Acta. Part A: Molecular and Biomolecular Spectroscopy", title = "Substituent and solvent effects on intramolecular charge transfer of 5-arylidene-2,4-thiazolidinediones", volume = "86", pages = "500-507", doi = "10.1016/j.saa.2011.10.074" }
Rančić, M., Trišović, N. P., Milčić, M. K., Uscumlic, G.,& Marinković, A.. (2012). Substituent and solvent effects on intramolecular charge transfer of 5-arylidene-2,4-thiazolidinediones. in Spectrochimica Acta. Part A: Molecular and Biomolecular Spectroscopy Pergamon-Elsevier Science Ltd, Oxford., 86, 500-507. https://doi.org/10.1016/j.saa.2011.10.074
Rančić M, Trišović NP, Milčić MK, Uscumlic G, Marinković A. Substituent and solvent effects on intramolecular charge transfer of 5-arylidene-2,4-thiazolidinediones. in Spectrochimica Acta. Part A: Molecular and Biomolecular Spectroscopy. 2012;86:500-507. doi:10.1016/j.saa.2011.10.074 .
Rančić, Milica, Trišović, Nemanja P., Milčić, Miloš K., Uscumlic, Gordana, Marinković, Aleksandar, "Substituent and solvent effects on intramolecular charge transfer of 5-arylidene-2,4-thiazolidinediones" in Spectrochimica Acta. Part A: Molecular and Biomolecular Spectroscopy, 86 (2012):500-507, https://doi.org/10.1016/j.saa.2011.10.074 . .