Abstract

Sheena Mary Y.¹,Linda Jacob²,Hema Tresa Varghese¹ and C.yohannan³

Fourier-transform-Raman and infrared spectrum of N-methylacetamide were recorded and analyzed. The vibrational wavenumbers were examined theoretically using the Gaussian03 set of quantum chemistry codes. The first hyperpolarizability, predicted infrared intensities and Raman activities are reported. The calculated first hyperpolarizability makes this compound an attractive object for future studies of nonlinear optics. The experimental frequencies are in agreement with the calculated scaled values.

FT-Raman; FT-IR; HF calculations; Acetamide

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