ab initio Molecular orbital study of disulphur dinitride, S2N2
- 1 January 1976
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Journal of the Chemical Society, Chemical Communications
- No. 17,p. 701-702
- https://doi.org/10.1039/c39760000701
Abstract
The structure and ionization spectrum of disulphur dinitride (S2N2) is discussed using the ab initio molecular orbital method, and the predicted square-planar geometry is in excellent agreement with the experimental geometry; a simple many-body perturbation technique suggests that the lowest ion state arises from removal of a π electron in disagreement with the Koop-mans' theorem prediction.Keywords
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