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.
M. P. S. Collins and B. J. Duke, J. Chem. Soc., Chem. Commun., 1976, 701 DOI: 10.1039/C39760000701
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