Solvent and structural effects on the UV absorption spectra of N-(substituted phenyl)-2-cyanoacetamides

被引：5

作者：

Matijevic, Borko M. ^{[1
]}

Vastag, Dendi D. ^{[1
]}

Perisic-Janjic, Nada U. ^{[2
]}

Apostolov, Suzana Lj ^{[1
]}

Milcic, Milos K. ^{[3
]}

Zivanovic, Lidija ^{[3
]}

Marinkovic, Aleksandar D. ^{[4
]}

机构：

[1] Univ Novi Sad, Fac Sci, Dept Chem Biochem & Environm Protect, Novi Sad 21000, Serbia

[2] Acad Sci & Arts Vojvodina, Novi Sad 21000, Serbia

[3] Univ Belgrade, Fac Chem, Belgrade 11000, Serbia

[4] Univ Belgrade, Fac Technol & Met, Belgrade 11120, Serbia

来源：

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY | 2014年 / 117卷

关键词：

N-(substituted phenyl)-2-cyanoacetamides; UV absorption spectra; Solvent effects; Substituent effects; Ab initio MO calculation; CYANOACETAMIDE DERIVATIVES; BIOLOGICAL EVALUATION; SUBSTITUENT; SOLVATOCHROMISM; ENERGY; SCALE; IR;

D O I：

10.1016/j.saa.2013.08.040

中图分类号：

O433 [光谱学];

学科分类号：

0703 ; 070302 ;

摘要：

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. (C) 2013 Elsevier B.V. All rights reserved.

引用

页码：568 / 575

页数：8

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