Amalgamating at the molecular level. A study of the strong closed-shell Au(I)···Hg(II) interaction.

Chem Commun (Camb)

Departamento de Química, Universidad de La Rioja, Grupo de Síntesis Química de La Rioja, UA-CSIC, Complejo Científico-Tecnológico, 26004-Logroño, Spain.

Published: June 2011

Complex {[Hg(C(6)F(5))(2)][Au(C(6)F(5))(PMe(3))](2)}(n)2 displays unsupported Au(I)···Hg(II) and Au(I)···Au(I) interactions. Its crystal structure displays a polymeric -(Au-Hg-Au-Au-Hg-Au)(n)- disposition. Ab initio calculations show very strong Au(I)···Hg(II) and Au(I)···Au(I) closed-shell interactions of -73.3 kJ mol(-1) and -57.0 kJ mol(-1), respectively, which have a dispersive (van der Waals) nature and are strengthened by large relativistic effects (>20%).

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Source
http://dx.doi.org/10.1039/c1cc11036eDOI Listing

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