Abstract

C. Y. Panicker, H. T. Varghese, Y. S. Mary, G.Krishnakumar, P. S. Amala Devi and B. Harikumar, K. Raju

The vibrational wavenumbers of N-(2,4-Dichlorophenyl)benzamide were calculated using Gaussian03 software package and the fundamental modes are assigned. The predicted infrared, Raman activities, force constants and polarization rations are reported. The first hyperpolarizability is calculated and the N-(2,4-Dichlorophenyl) benzamide is an attractive object for future studies of non linear optics. The calculated geometrical parameters are in agreement with the reported experimental values.

N-(2,4-Dichlorophenyl) Benzamide; Benzamide; HF Calculations; Hyperpolarizability

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