Inorganic Chemistry
Inorganic Chemistry
5 years ago

Relevance of Orbital Interactions and Pauli Repulsion in the Metal–Metal Bond of Coinage Metals

Relevance of Orbital Interactions and Pauli Repulsion in the Metal–Metal Bond of Coinage Metals
Maria B. Brands, Célia Fonseca Guerra, Jörn Nitsch
Attract and repel: Our computational studies on the metallophilic interaction in atomic dimers (M+···M+) and molecular perpendicular [H3P−M−X]2 (where M = Cu, Ag, and Au; X = F, Cl, Br, and I) prove that besides the commonly accepted dispersive interactions attractive and repulsive MO interactions play a crucial role in metallophilicity.

Publisher URL: http://dx.doi.org/10.1021/acs.inorgchem.7b02994

DOI: 10.1021/acs.inorgchem.7b02994

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