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|Title:||Spectral investigation and normal coordinate analysis of piperazine|
Normal coordinate analysis
Potential energy distribution
|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.|
|Appears in Collections:||IJPAP Vol.46(12) [December 2008]|
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