Vibrational Spectroscopic Studies and Ab intio Calculations of N-methylacetamide

被引：0

作者：

Mary, Sheena Y. ^{[1
]}

Jacob, Linda ^{[2
]}

Varghese, Hema Tresa ^{[1
]}

Panicker, C. Yohannan ^{[3
]}

机构：

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

[2] Catholicate Coll, Dept Phys, Pathanamthitta, Kerala, India

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

来源：

ORIENTAL JOURNAL OF CHEMISTRY | 2011年 / 27卷 / 01期

关键词：

FT-Raman; FT-IR; HF calculations; Acetamide;

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：

Fourier-transform-Raman and infrared spectrum of N-methylacetamide were recorded and analyzed. The vibrational wavenumbers were examined theoretically using the Gaussian03 set of quantum chemistry codes. The first hyperpolarizability, predicted infrared intensities and Raman activities are reported. The calculated first hyperpolarizability makes this compound an attractive object for future studies of nonlinear optics. The experimental frequencies are in agreement with the calculated scaled values.

引用

页码：271 / 275

页数：5

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