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Title: Fourier transform infrared and Fourier transform Raman spectra and normal coordinate analysis of ethyleneimine
Authors: Gunasekaran, S
Uthra, D
Keywords: Ethyleneimin;Fourier transform Infrared and Raman spectra;Normal coordinate analysis;Potential energy distribution
Issue Date: Feb-2008
Publisher: CSIR
Abstract: Ethyleneimine (C₂H₅N) also known as dimethyleneimine, azirane, aziridine is a toxic chemical that finds variety of uses in industries. It is volatile, highly reactive, corrosive and is considered as a potential carcinogen, but widely used in the paper, lacquer and photography industries. This molecule has eighteen fundamental modes of vibration under Cﻯ point group distributed as Γvib = 10A' + 8A''. In the present paper, normal coordinate analysis has been carried out for the molecule ethyleneimine with an orthonormal set of symmetry coordinates by using Wilson’s F-G matrix method. A satisfactory vibrational band assignment has been made in terms of normal modes of vibration using Fourier transform infrared and Fourier transform Raman spectroscopy. A reasonable set of potential constants was evaluated and found to be in good agreement with literature. The potential energy distribution has been evaluated which confirms the frequency assignment done, thus, providing a strong support to the present work.
Page(s): 100-105
ISSN: 0019-5596
Appears in Collections:IJPAP Vol.46(02) [February 2008]

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