ISSN : 0970 - 020X, ONLINE ISSN : 2231-5039
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Abstract

Structure and Nonlinear Optical Properties Study of  2-amino-5-chlorobenzophenone: A Spectroscopic Approach

C. Jesintha John1,2, D. Manimaran1, I. Hubert Joe1*, George Lukose3 and Sherifa Rahim4

DOI : http://dx.doi.org/10.13005/ojc/320172


Abstract:

The FT-IR and FT-Raman spectra of 2-amino-5-chlorobenzophenone have been recorded and analyzed. Structural geometry, vibrational wavenumbers and first-order hyperpolarizability were computed using density functional theory method. N-H…O distance shows the possibility of intramolecular hydrogen bonding. Natural bond orbital analysis confirms the presence of the    N-H…O hydrogen bonding. The computed first-order hyperpolarizability value suggests that 2-amino-5-chlorobenzophenone has a potential for producing the second harmonic generation.

Keywords:

Vibrational spectra; Density functional theory; Natural bond orbital; Hydrogen bonding; Hyperpolarizability

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