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The quantum theory of "atoms in molecules" (AIM) has been employed for an investigation of the sulfur- oxygen bond in CH3-NSO and CH3-NH-NSO. A comparison with the SO bond in SO2 shows that the nature of the bonding is similar in all three compounds: the SO interaction is in between shared and closed-shell and is described best as a polar double bond. The electrostatic contribution to the bonding is largest in SO2 and smallest in CH3-NH-NSO. Within the AIM picture, the SO bond in CH3-NSO and CH3-NH- NSO resembles the CO interaction in carbonyl compounds and is fundamentally different from the PO bond in the hypervalent H3PO.

The sulfur–oxygen bond in sulfinylamines and sulfinylhydrazines: an AIM study