title: Amalgamating at the molecular level. A study of the strong closed-shell Au(I)···Hg(II) interaction.
abstract: 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%).
authors: Departamento de Química, Universidad de La Rioja, Grupo de Síntesis Química de La Rioja, UA-CSIC, Complejo Científico-Tecnológico, 26004-Logroño, Spain. josemaria.lopez@unirioja.es
authors: José M
authors: JM
authors: López-de-Luzuriaga
authors: Miguel
authors: M
authors: Monge
authors: M Elena
authors: ME
authors: Olmos
authors: David
authors: D
authors: Pascual
authors: Tania
authors: T
authors: Lasanta