Abstract

C.Yohannan Panicker^1*, Hema Tresa Varghese² and Y. Sheena Mary²

FTIR and FT-Raman spectrum of 5,-benzo-1,3-benzodioxole were recorded and analyzed. The vibrational wavenumbers were examined theoretically using the Gaussian03 set of quantum chemistry codes. The experimental frequencies are in agreement with the calculated (B3LYP) scaled values. The predicted infrared intensities and Raman activities are reported.

FTIR; FT-Raman; DFT; benzodioxole

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