The Nature of Metal-Metal Interactions in Dimeric Hydrides and Halides of Group 11 Elements in the Light of High Level Relativistic Calculations.

Abstract

The titular calculations show that charges at metal atoms M are apparently the main factor governing the nature of M⋅⋅⋅M interactions in two-nuclear coinage-metal complexes, and there are certain critical values of positive charges on M atoms, on exceeding which the pair-wise M⋅⋅⋅M interactions and/or the binding between M atoms in such complexes become repulsive despite negative formation energies of such complexes, short M-M internuclear distances, and the existence of a bond critical point (BCP) between M atoms.

DOI: 10.1002/chem.201605519

Cite this paper

@article{Demyanov2017TheNO, title={The Nature of Metal-Metal Interactions in Dimeric Hydrides and Halides of Group 11 Elements in the Light of High Level Relativistic Calculations.}, author={Piotr I Dem'yanov and Pavel M. Polestshuk and Vladimir V Kostin}, journal={Chemistry}, year={2017}, volume={23 14}, pages={3257-3261} }