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

  1. López-De-Luzuriaga, J.M. 1
  2. Monge, M. 1
  3. Olmos, M.E. 1
  4. Pascual, D. 1
  5. Lasanta, T. 1
  1. 1 Universidad de La Rioja
    info

    Universidad de La Rioja

    Logroño, España

    ROR https://ror.org/0553yr311

Aldizkaria:
Chemical Communications

ISSN: 1359-7345

Argitalpen urtea: 2011

Alea: 47

Zenbakia: 24

Orrialdeak: 6795-6797

Mota: Artikulua

DOI: 10.1039/C1CC11036E SCOPUS: 2-s2.0-79959791519 WoS: WOS:000291395800004 GOOGLE SCHOLAR

Beste argitalpen batzuk: Chemical Communications

Laburpena

Complex {[Hg(C6F5)2][Au(C 6F5)(PMe3)]2}n2 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%). © 2011 The Royal Society of Chemistry.