Vibrational spectroscopic studies and ab initio calculations of Goniothalamin, a natural product

被引：2

作者：

Harikumar, B. ^{[2
]}

Varghese, Hema Tresa ^{[3
]}

Panicker, C. Yohannan ^{[1
]}

Jayakumar, G. ^{[4
]}

机构：

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

[2] TKM Coll Arts & Sci, Dept Chem, Kollam 691005, Kerala, India

[3] Fatima Mata Natl Coll, Dept Phys, Kollam 691005, Kerala, India

[4] NSS Coll, Dept Chem, Cherthala, Kerala, India

来源：

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY | 2008年 / 71卷 / 02期

关键词：

IR; Hartree-Fock ab initio calculations; Goniothalamin; Pyran;

D O I：

10.1016/j.saa.2007.12.054

中图分类号：

O433 [光谱学];

学科分类号：

0703 ; 070302 ;

摘要：

5,6-Dihydro-6-styryl-2-pyrone (Goniothalamin), is isolated from the leaves of Goniothalamus wightii and identified by spectral analysis and X-ray diffraction studies. FT-IR spectroscopy has also been used to characterize the vibrational bands. The vibrational wavenumbers and corresponding vibrational assignments are examined theoretically using the Gaussian03 set of quantum chemistry codes. Predicted IR and Raman intensities are reported. (c) 2008 Elsevier B.V. All rights reserved.

引用

页码：731 / 738

页数：8

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