Molecular Structure and Vibrational Spectra of Alpha-Benzoinoxime by Density Functional Method

被引：4

作者：

Dereli, O. ^{[1
]}

Erdogdu, Y. ^{[2
]}

Gulluoglu, M. T. ^{[2
]}

Sundaraganesan, N. ^{[3
]}

Turkkan, E. ^{[1
]}

Sayin, U. ^{[4
]}

Ozmen, A. ^{[4
]}

机构：

[1] Necmettin Erbakan Univ, A Kelesoglu Educ Fac, Dept Phys, TR-42090 Konya, Turkey

[2] Ahi Evran Univ, Dept Phys, TR-40040 Kirsehir, Turkey

[3] Annamalai Univ, Dept Phys Engg, Annamalainagar 608002, Tamil Nadu, India

[4] Selcuk Univ, Fac Sci, Dept Phys, Konya, Turkey

来源：

OPTICS AND SPECTROSCOPY | 2014年 / 116卷 / 02期

关键词：

CHITIN; CHEMISTRY; CHITOSAN; OXIMES;

D O I：

10.1134/S0030400X14020052

中图分类号：

O43 [光学];

学科分类号：

070207 ; 0803 ;

摘要：

In the present study, an exhaustive conformational search of the Alpha-benzoinoxime has been performed. The FT-IR spectrum of this compound was recorded in the region 4000-400 cm(-1). The FT-Raman spectrum was also recorded in the region 3500-50 cm(-1). Vibrational frequences of the title compound were calculated by B3LYP method using 6-311++G(d, p) basis set. The calculated vibrational frequences were analysed and compared with experimental results.

引用

页码：187 / 195

页数：9

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