Fr-IR, Fr-Raman and DFT calculations of 4-chloro-2-(3,4-dichlorophenylcarbamoyl)phenyl acetate

被引：73

作者：

Madhavan, V. S. ^{[2
]}

Varghese, Hema Tresa ^{[3
]}

Mathew, Samuel ^{[4
]}

Vinsova, Jarmila ^{[5
]}

Panicker, C. Yohannan ^{[1
]}

机构：

[1] TKM Coll Arts & Sci, Dept Phys, Kollam 691005, Kerala, India

[2] MES Ponnani Coll, Dept Phys, Malappuram, Kerala, India

[3] Fatima Mata Natl Coll, Dept Phys, Kollam 691001, Kerala, India

[4] Mar Thoma Coll, Dept Phys, Thiruvalla 689103, Kerala, India

[5] Charles Univ Prague, Fac Pharm, Dept Inorgan & Organ Chem, Hradee Kralove 50005, Czech Republic

来源：

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY | 2009年 / 72卷 / 03期

关键词：

Salicylanilide; Acetate; Carbamoyl; FT-IR; FT-Raman; DFT Calculations; AB-INITIO CALCULATIONS; VIBRATIONAL-SPECTRA; MOLECULAR-STRUCTURE; SALICYLANILIDES; INHIBITORS; DERIVATIVES; SYSTEMS; EGFR;

D O I：

10.1016/j.saa.2008.10.061

中图分类号：

O433 [光谱学];

学科分类号：

0703 ; 070302 ;

摘要：

Fr-IR and Fr-Raman spectra of 4-chloro-2-(3,4-dichlorophenylcarbamoyl)phenyl acetate were recorded and analyzed. Synthesis and elemental analysis are also reported. The vibrational wavennumbers of the compound have been computed on the basis of density functional theory using B3LYP/6-31G* basis set. The predicted infrared intensities and Raman activities are reported. (c) 2008 Elsevier B.V. All rights reserved.

引用

页码：547 / 553

页数：7

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