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.
ID | 456839 |
---|---|
DOI | 10.1016/j.cplett.2020.137532 |
PRODUCT TYPE | Journal Article |
LAST UPDATE | 2021-09-21T10:08:59Z |