alexa Scaled quantum chemical calculations and FT-IR, FT-Raman spectral analysis of 2-methyl piperazine.
Pharmaceutical Sciences

Pharmaceutical Sciences

Pharmaceutica Analytica Acta

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

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