Raman, IR and SERS spectra of methyl(2-methyl-4,6-dinitrophenylsulfanyl)ethanoate

被引：65

作者：

Panicker, C. Yohannan ^{[1
]}

Varghese, Hema Tresa

Philip, Daizy

Nogueira, Helena I. S.

Castkova, Katerina

机构：

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

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

[3] Mar Ivanios Coll, Dept Phys, Thiruvananthapuram 695015, Kerala, India

[4] Univ Aveiro, CICECO, Dept Chem, P-3810193 Aveiro, Portugal

[5] Univ Pardubice, Dept Organ Chem, Pardubice, Czech Republic

来源：

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY | 2007年 / 67卷 / 05期

关键词：

nitro; vibrational spectra; methoxy carbonyl; SERS; DFT;

D O I：

10.1016/j.saa.2006.09.042

中图分类号：

O433 [光谱学];

学科分类号：

0703 ; 070302 ;

摘要：

Methyl(2-methyl-4,6-dinitrophenylsulfanyl)ethanoate was prepared by nucleophilic substitution. FT-IR and FT-Raman spectra of methyl(2-methyl-4,6-dinitrophenylsulfanyl)ethanoate were recorded and analyzed. Surface-enhanced Raman scattering (SERS) spectrum was recorded on a silver colloid. The vibrationl wavenumbers were computed by density functional theoretical (DFT) computations at the B3LYP/6-31G* level and they were found to be in good agreement with the experimental values. The molecule is adsorbed on the silver surface with the benzene ring in a 'tilted orientation'. (C) 2006 Elsevier B.V. All rights reserved.

引用

页码：1313 / 1320

页数：8

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