Published on February 2016 | Molecular Spectroscopy

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

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.