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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