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

Ambujakshan, K.; Madhavan, V.; Varghese, Hema; Panicker, C.; ARPACI, ÖZLEM; Tekiner-Gulbas, PERVİN; YILDIZ, İLKAY

doi:10.1016/j.saa.2007.04.034

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

Ambujakshan K. R., Madhavan V. S., Varghese H. T., Panicker C. Y., ARPACI Ö., Tekiner-Gulbas B., ...Daha Fazla

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, cilt.69, sa.3, ss.782-788, 2008 (SCI-Expanded, Scopus)

Yayın Türü: Makale / Tam Makale
Cilt numarası: 69 Sayı: 3
Basım Tarihi: 2008
Doi Numarası: 10.1016/j.saa.2007.04.034
Dergi Adı: SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
Sayfa Sayıları: ss.782-788
Anahtar Kelimeler: FT-IR, HF ab initio calculation, benzoxazole, LARGE-AMPLITUDE VIBRATIONS, N-METHYL GROUP, INFRARED-ABSORPTION, HETEROATOM DERIVATIVES, SPECTRA, BENZOXAZOLE, FREQUENCIES, BENZOFURAN, INDENE, ACID
Ankara Üniversitesi Adresli: Evet

Özet

FT-IR spectra of 5-methyl-2-(p-methylaminophenyl)benzoxazole was 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) 2007 Elsevier B.V. All rights reserved.