FTIR, FT-Raman and DFT Calculations of 5-nitro-1,3-Benzodioxole

被引：0
|
作者：
Panicker, C. Yohannan [1 ]
Varghese, Hema Tresa [2 ]
Mary, Y. Sheena [2 ]
机构：
[1] TKM Coll Arts & Sci, Dept Phys, Kollam, Kerala, India
[2] Fatima Mata Natl Coll, Dept Phys, Kollam, Kerala, India
来源：
ORIENTAL JOURNAL OF CHEMISTRY | 2012年 / 28卷 / 02期
关键词：
FTIR; FT-Raman; DFT; benzodioxole;
D O I：
暂无
中图分类号：
Q5 [生物化学]; Q7 [分子生物学];
学科分类号：
071010 ; 081704 ;
摘要：
FTIR and FT-Raman spectrum of 5,-benzo-1,3-benzodioxole were recorded and analyzed. The vibrational wavenumbers were examined theoretically using the Gaussian03 set of quantum chemistry codes. The experimental frequencies are in agreement with the calculated (B3LYP) scaled values. The predicted infrared intensities and Raman activities are reported.
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收藏
页码：1037 / 1041
页数：5
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