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

Anto, P.; Panicker, C.; Varghese, Hema; Philip, Daizy; ARPACI, ÖZLEM; Tekiner-Gulbas, PERVİN; YILDIZ, İLKAY

doi:10.1016/j.saa.2006.08.026

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., ...Daha Fazla

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, cilt.67, sa.3-4, ss.744-749, 2007 (SCI-Expanded, Scopus)

Yayın Türü: Makale / Tam Makale
Cilt numarası: 67 Sayı: 3-4
Basım Tarihi: 2007
Doi Numarası: 10.1016/j.saa.2006.08.026
Dergi Adı: SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
Sayfa Sayıları: ss.744-749
Anahtar Kelimeler: FT-Raman, FT-IR, HF ab initio calculation, benzoxazole, ANTIINFLAMMATORY ACTIVITY, HETEROATOM DERIVATIVES, ACID-DERIVATIVES, BENZOXAZOLE, BENZOTHIAZOLE, BENZOFURAN, SPECTRA, INDENE, INDOLE
Ankara Üniversitesi Adresli: Evet

Özet

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.