title: 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.
authors.affiliation: Chemistry Department, M. V. Lomonosov Moscow State University, Lenin Hills 1, Building 3, 119991, Moscow, Russia.
authors.forename: Piotr I
authors.identifier: http://orcid.org/0000-0001-9082-9290
authors.initials: PI
authors.lastname: Dem'yanov
authors.affiliation: Chemistry Department, M. V. Lomonosov Moscow State University, Lenin Hills 1, Building 3, 119991, Moscow, Russia.
authors.forename: Pavel M
authors.identifier: http://orcid.org/0000-0002-0595-5346
authors.initials: PM
authors.lastname: Polestshuk
authors.affiliation: Chemistry Department, M. V. Lomonosov Moscow State University, Lenin Hills 1, Building 3, 119991, Moscow, Russia.
authors.forename: Vladimir V
authors.identifier: http://orcid.org/0000-0003-2733-0862
authors.initials: VV
authors.lastname: Kostin
keywords: IQA analysis; halides; hydrides; metallophilicity; relativistic calculations