×


In a world increasingly facing new challenges at the forefront of plasma scientific research and technological innovation, CNR and ISTP pledge progress and achieve an impact in the integration of research into societal practices and policy

Complexes of the noble-gas atoms with unsaturated ions: A theoretical investigation on the exemplary (H2C = NH2 +)Ar

Borocci S.; Grandinetti F.; Sanna N.

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.

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