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Title: Spectral investigation and normal coordinate analysis of piperazine
Authors: Gunasekaran, S
Anita, B
Keywords: FTIR;FTR spectra;Normal coordinate analysis;Potential energy distribution
Issue Date: Dec-2008
Publisher: CSIR
Abstract: Piperazine is a secondary amine with the molecular formula C4N2H12. A normal coordinate analysis (NCA) has been carried out on this molecule with a systematic set of symmetry coordinates following Wilson’s F-G matrix method based on D2h point group symmetry. The frequency assignments in the FTIR and FTR spectra have been presented. A reasonable set of potential constants evaluated for this molecule has been compared with those of related molecules and are in the characteristic range. The potential energy distribution has been evaluated using the vibrational spectral data. The potential energy distribution value obtained reflects the correctness of the assignment made.
Page(s): 833-838
ISSN: 0019-5596
Appears in Collections:IJPAP Vol.46(12) [December 2008]

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