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.
Keywords:
Substituent effects / Solvent effects / Absorption spectra / Ab initio MO calculation / 5-arylidene-2,4-thiazolidinediones
Source:
Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy, 2012, 86, 500-507
TY - JOUR
AU - Rančić, Milica
AU - Trisović, Nemanja
AU - Milcić, Miloš
AU - Ušćumlić, Gordana
AU - Marinković, Aleksandar
PY - 2012
UR - https://omorika.sfb.bg.ac.rs/handle/123456789/462
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.
T2 - Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy
T1 - Substituent and solvent effects on intramolecular charge transfer of 5-arylidene-2,4-thiazolidinediones
EP - 507
SP - 500
VL - 86
DO - 10.1016/j.saa.2011.10.074
UR - conv_1003
ER -
@article{
author = "Rančić, Milica and Trisović, Nemanja and Milcić, Miloš and Ušćumlić, 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.",
journal = "Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy",
title = "Substituent and solvent effects on intramolecular charge transfer of 5-arylidene-2,4-thiazolidinediones",
pages = "507-500",
volume = "86",
doi = "10.1016/j.saa.2011.10.074",
url = "conv_1003"
}
Rančić, M., Trisović, N., Milcić, M., Ušćumlić, 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, 86, 500-507.
https://doi.org/10.1016/j.saa.2011.10.074
conv_1003
Rančić M, Trisović N, Milcić M, Ušćumlić 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
conv_1003 .
Rančić, Milica, Trisović, Nemanja, Milcić, Miloš, Ušćumlić, 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 .,
conv_1003 .
