The Nature of Metal–Metal Interactions in Dimeric Hydrides and Halides of Group 11 Elements in the Light of High Level Relativistic Calculations | Zendy

Dem'yanov Piotr I. | Zendy; Polestshuk Pavel M. | Zendy; Kostin Vladimir V. | Zendy

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

Author(s) -

Dem'yanov Piotr I.,

Polestshuk Pavel M.,

Kostin Vladimir V.

Publication year - 2017

Publication title -

chemistry – a european journal

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 1.687

H-Index - 242

eISSN - 1521-3765

pISSN - 0947-6539

DOI - 10.1002/chem.201605519

Subject(s) - halide , metal , group (periodic table) , main group element , metal halides , chemistry , materials science , atomic physics , physics , crystallography , inorganic chemistry , metallurgy , organic chemistry , transition metal , catalysis

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.

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