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Experimental (FT-IR and FT-Raman spectra) and theoretical (ab initio HF, DFT) study of 2-chloro-5-methylaniline

✍ Scribed by Mehmet Karabacak; Dilek Karagöz; Mustafa Kurt

Publisher: Elsevier Science
Year: 2008
Tongue: English
Weight: 344 KB
Volume: 892
Category: Article
ISSN: 0022-2860
DOI: 10.1016/j.molstruc.2008.04.054

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## Abstract Fourier transform infrared (FT‐IR) and Fourier transform (FT) Raman spectra of 3‐{[(2‐hydroxyphenyl)methylene]amino}‐2‐phenylquinazolin‐4(3H)‐one were recorded and analyzed. The vibrational wavenumbers of the title compound were computed using HF/6‐31G\* and 6‐311G\* basis sets and comp