The (H2C = NH2
+)Ar isomeric complexes recently observed by Duncan and coworkers using gas phase infrared
spectroscopy [Chem. Phys. Lett. 726 (2019) 53-56] were theoretically investigated by different techniques of
bonding analysis. The higher stability of the NH-coordinated complex with respect to the C-coordinated one
arises from a major contribution of the inductive binding component, the electrostatic and dispersion contributions
being, instead, comparable in the two isomers. A similar situation expectedly occurs in other complexes
of the noble-gas atoms with unsaturated and aromatic ions, observed to feature the competitive occurrence
of a more stable H-bonded isomer and a less stable ?-stacked one.
Complexes of the noble-gas atoms with unsaturated ions: A theoretical investigation on the exemplary (H2C = NH2 +)Ar
Borocci S.; Grandinetti F.; Sanna N.
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