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

Anto P. L., Panicker C. Y., Varghese H. T., Philip D., ARPACI Ö., Tekiner-Gulbas B., ...More

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, vol.67, no.3-4, pp.744-749, 2007 (SCI-Expanded) identifier identifier identifier

  • Publication Type: Article / Article
  • Volume: 67 Issue: 3-4
  • Publication Date: 2007
  • Doi Number: 10.1016/j.saa.2006.08.026
  • Journal Name: SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Page Numbers: pp.744-749
  • Keywords: FT-Raman, FT-IR, HF ab initio calculation, benzoxazole, ANTIINFLAMMATORY ACTIVITY, HETEROATOM DERIVATIVES, ACID-DERIVATIVES, BENZOXAZOLE, BENZOTHIAZOLE, BENZOFURAN, SPECTRA, INDENE, INDOLE
  • Ankara University Affiliated: Yes

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. (c) 2006 Elsevier B.V. All rights reserved.