1592
A. Chandran et al. / Spectrochimica Acta Part A 79 (2011) 1584–1592
similar derivatives. The first hyperpolarizability, infrared inten-
sities and Raman activities are reported. The calculated first
hyperpolarizability is comparable with the reported values of
similar derivatives and is an attractive object for future studies
of non linear optics. The important thermodynamical parameters
are also presented. The splitting of the N–H stretching band in the
IR spectrum is due to strong intermolecular hydrogen bonding.
Furthermore, the N–H stretching wavenumber is red shifted
in the IR spectrum with a strong intensity from the computed
wavenumber, which indicates the weakening of the N–H bond.
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