Author(s): Krishnakumar V, Seshadri S
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Abstract The vibrational spectra of 2-methyl piperazine (2MPZ) have been computed using B3LYP methodology and 6-31G* and 6-31G** basis sets. The solid phase FT-IR and FT-Raman spectra were recorded in the region 4000-400 and 3500-100 cm(-1), respectively. A close agreement was achieved between the observed and calculated frequencies by employing normal coordinate calculations. The observed and simulated spectra were found to be well comparable.
This article was published in Spectrochim Acta A Mol Biomol Spectrosc
and referenced in Pharmaceutica Analytica Acta