UV absorption spectra of N-(substituted phenyl)-2-cyanoacetamides have been recorded in the range 200-400 nm in the set of selected solvents. The solute-solvent interactions were analyzed on the basis of linear solvation energy relationships (LSER) concept proposed by Kamlet and Taft. The effects of substituents on the absorption spectra were interpreted by correlation of absorption frequencies with Hammett substituent constant, sigma. It was found that substituents significantly change the extent of conjugation. Furthermore, the experimental findings were interpreted with the aid of ab initio B3LYP/6-311G(d,p) method. Electronic energies was calculated by the use of 6-311++G(3df,3pd) methods with standard polarized continuum model (PCM) for inclusion of the solvent effect.
Keywords:
N-(substituted phenyl)-2-cyanoacetamides / UV absorption spectra / Solvent effects / Substituent effects / Ab initio MO calculation
Source:
Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy, 2014, 117, 568-575
TY - JOUR
AU - Matijević, Borko M.
AU - Vaštag, Đenđi
AU - Perišić-Janjić, Nada
AU - Apostolov, Suzana
AU - Milčić, Miloš
AU - Zivanović, Lidija
AU - Marinković, Aleksandar
PY - 2014
UR - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/2754
AB - UV absorption spectra of N-(substituted phenyl)-2-cyanoacetamides have been recorded in the range 200-400 nm in the set of selected solvents. The solute-solvent interactions were analyzed on the basis of linear solvation energy relationships (LSER) concept proposed by Kamlet and Taft. The effects of substituents on the absorption spectra were interpreted by correlation of absorption frequencies with Hammett substituent constant, sigma. It was found that substituents significantly change the extent of conjugation. Furthermore, the experimental findings were interpreted with the aid of ab initio B3LYP/6-311G(d,p) method. Electronic energies was calculated by the use of 6-311++G(3df,3pd) methods with standard polarized continuum model (PCM) for inclusion of the solvent effect.
PB - Pergamon-Elsevier Science Ltd, Oxford
T2 - Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy
T1 - Solvent and structural effects on the UV absorption spectra of N-(substituted phenyl)-2-cyanoacetamides
EP - 575
SP - 568
VL - 117
DO - 10.1016/j.saa.2013.08.040
ER -
@article{
author = "Matijević, Borko M. and Vaštag, Đenđi and Perišić-Janjić, Nada and Apostolov, Suzana and Milčić, Miloš and Zivanović, Lidija and Marinković, Aleksandar",
year = "2014",
abstract = "UV absorption spectra of N-(substituted phenyl)-2-cyanoacetamides have been recorded in the range 200-400 nm in the set of selected solvents. The solute-solvent interactions were analyzed on the basis of linear solvation energy relationships (LSER) concept proposed by Kamlet and Taft. The effects of substituents on the absorption spectra were interpreted by correlation of absorption frequencies with Hammett substituent constant, sigma. It was found that substituents significantly change the extent of conjugation. Furthermore, the experimental findings were interpreted with the aid of ab initio B3LYP/6-311G(d,p) method. Electronic energies was calculated by the use of 6-311++G(3df,3pd) methods with standard polarized continuum model (PCM) for inclusion of the solvent effect.",
publisher = "Pergamon-Elsevier Science Ltd, Oxford",
journal = "Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy",
title = "Solvent and structural effects on the UV absorption spectra of N-(substituted phenyl)-2-cyanoacetamides",
pages = "575-568",
volume = "117",
doi = "10.1016/j.saa.2013.08.040"
}
Matijević, B. M., Vaštag, Đ., Perišić-Janjić, N., Apostolov, S., Milčić, M., Zivanović, L.,& Marinković, A.. (2014). Solvent and structural effects on the UV absorption spectra of N-(substituted phenyl)-2-cyanoacetamides. in Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy
Pergamon-Elsevier Science Ltd, Oxford., 117, 568-575.
https://doi.org/10.1016/j.saa.2013.08.040
Matijević BM, Vaštag Đ, Perišić-Janjić N, Apostolov S, Milčić M, Zivanović L, Marinković A. Solvent and structural effects on the UV absorption spectra of N-(substituted phenyl)-2-cyanoacetamides. in Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy. 2014;117:568-575.
doi:10.1016/j.saa.2013.08.040 .
Matijević, Borko M., Vaštag, Đenđi, Perišić-Janjić, Nada, Apostolov, Suzana, Milčić, Miloš, Zivanović, Lidija, Marinković, Aleksandar, "Solvent and structural effects on the UV absorption spectra of N-(substituted phenyl)-2-cyanoacetamides" in Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy, 117 (2014):568-575,
https://doi.org/10.1016/j.saa.2013.08.040 . .
