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Title
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FT-IR, FT-Raman and DFT calculations of 3-{[(4-fluorophenyl)methylene]amino}-2-phenylquinazolin-4(3H)-one
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Author
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Abstract
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| 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 experimental data. The prepared compound was identified by NMR and mass spectra. The simultaneous IR and Raman activation of the CO stretching mode shows a charge transfer interaction through a -conjugated path. The first hyperpolarizability and infrared intensities are reported. The assignments of the normal modes are done by potential energy distribution (PED) calculations. |
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Language
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English
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Source (journal)
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Journal of Raman spectroscopy. - Dordrecht
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Publication
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Dordrecht
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2009
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ISSN
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0377-0486
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DOI
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10.1002/JRS.2159
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Volume/pages
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40
:5
(2009)
, p. 527-536
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ISI
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000266611900009
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Full text (Publisher's DOI)
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