A Normal Coordinate Vibrational Analysis of N-Sulphinylimide

A vibrational analysis has been carried out on both syn- and anti-conformations of N-sulphinylimide, H-N=S=O. A simple on-diagonal force field is used, the validity of which was established by comparison with a normal coordinate analysis for DNSO. The potential energy distributions show that the N=S...

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Bibliographic Details
Published in:	Proceedings of the Royal Irish Academy. Section B. Biological, geological and chemical science Vol. 89B; pp. 429 - 433
Main Authors:	Glass, W. K., Hassan, S. K. A. G.
Format:	Journal Article
Language:	English
Published:	Royal Irish Academy 01-01-1989
Subjects:	Atoms Cartesian coordinates Chemical bonding Coordinate systems Force field Molecules Numberings Papers Dedicated to Eva Philbin, M.R.I.A. on the Occasion of Her 75th Birthday Polyatomic molecules Potential energy Vibration
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Summary:	A vibrational analysis has been carried out on both syn- and anti-conformations of N-sulphinylimide, H-N=S=O. A simple on-diagonal force field is used, the validity of which was established by comparison with a normal coordinate analysis for DNSO. The potential energy distributions show that the N=S and S=O stretching modes are coupled. The pseudo-asymmetric N=S=O stretching mode of predominantly N=S character occurs at higher wavenumber than the pseudo-symmetric N=S=O mode of predominantly S=O character. The N=S and S=O bond orders are evaluated.
ISSN:	0035-8983