FT‐IR, FT‐Raman and DFT calculations of 3‐{[(4‐fluorophenyl)methylene]amino}‐2‐phenylquinazolin‐4(3H)‐one

Yohannan Panicker, C.; Ambujakshan, K.R.; Tresa Varghese, Hema; Mathew, Samuel; Ganguli, Subarna; Kumar Nanda, Ashis; Van Alsenoy, Christian

doi:10.1002/jrs.2159

Public

FT‐IR, FT‐Raman and DFT calculations of 3‐{[(4‐fluorophenyl)methylene]amino}‐2‐phenylquinazolin‐4(3H)‐one

Published in Journal of Raman Spectroscopy • Dec 19, 2008

Authors:

C. Yohannan Panicker

K.R. Ambujakshan

Hema Tresa Varghese

Abstract

Abstract Fourier transform (FT)‐Raman and Fourier transform infrared (FT‐IR) spectra of 3‐{[(4‐fluorophenyl)methylene]amino}‐2‐phenylquinazolin‐4(3H)‐one were recorded and analyzed. The vibrational wavenumbers of the title compound were computed using the B3LYP/6‐31G* basis and compared with the exp...

Subject

Hyperpolarizability

Raman spectroscopy

Methylene

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