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Vibrational spectroscopic studies and ab initio calculations of 5-methyl-2-(p-fluorophenyl)benzoxazole.

作者信息

Anto P L, Panicker C Yohannan, Varghese Hema Tresa, Philip Daizy, Temiz-Arpaci Ozlem, Tekiner-Gulbas Betul, Yildiz Ilkay

机构信息

Department of Physics, St. Thomas College, Trichur 680 001, Kerala, India.

出版信息

Spectrochim Acta A Mol Biomol Spectrosc. 2007 Jul;67(3-4):744-9. doi: 10.1016/j.saa.2006.08.026. Epub 2006 Aug 25.

DOI:10.1016/j.saa.2006.08.026
PMID:17023195
Abstract

FT-Raman and FT-IR spectra of 5-methyl-2-(p-fluorophenyl)benzoxazole were recorded and analysed. The vibrational frequencies of the compound have been computed using the Hartree-Fock/6-31G* basis and compared with the experimental values.

摘要

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