Experimental and theoretical studies of the d8-d10 interactions between Pd(II) and Au(I): bis(chlorophenylthiomethyldiphenylphosphine gold(I))dichloropalladium(II) and related systems.

  1. Crespo, O. 2
  2. Laguna, A. 2
  3. Fernandez, E.J. 1
  4. Lopez-de-Luzuriaga, J.M. 1
  5. Jones, P.G. 1
  6. Teichert, M. 4
  7. Monge, M. 3
  8. Pyykko, P. 3
  9. Runeberg, N. 3
  10. Schutz, M. 5
  11. Werner, H.-J. 5
  1. 1 Universidad de La Rioja
    info

    Universidad de La Rioja

    Logroño, España

    ROR https://ror.org/0553yr311

  2. 2 Instituto de Nanociencia y Materiales de Aragón
    info

    Instituto de Nanociencia y Materiales de Aragón

    Zaragoza, España

    ROR https://ror.org/031n2c920

  3. 3 University of Helsinki
    info

    University of Helsinki

    Helsinki, Finlandia

    ROR https://ror.org/040af2s02

  4. 4 University of Göttingen
    info

    University of Göttingen

    Gotinga, Alemania

    ROR https://ror.org/01y9bpm73

  5. 5 University of Stuttgart
    info

    University of Stuttgart

    Stuttgart, Alemania

    ROR https://ror.org/04vnq7t77

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Revista:
Inorganic Chemistry

ISSN: 0020-1669

Año de publicación: 2000

Volumen: 39

Número: 21

Páginas: 4786-4792

Tipo: Artículo

DOI: 10.1021/IC000420P PMID: 11196955 SCOPUS: 2-s2.0-0034675549 WoS: WOS:000089964800018 GOOGLE SCHOLAR

Otras publicaciones en: Inorganic Chemistry

Repositorio institucional: lock_openAcceso abierto Editor

Resumen

The reaction between thioether phosphine gold(I) precursors such as [AuCl(Ph2PCH2SPh)], 1, or [Au(Ph2PCH2-SPh)2]CF3SO3 and PdCl2(NCPh)2 affords the new compounds [{AuCl(Ph2PCH2SPh)}2PdCl2], 2, and [AuPdCl2(Ph2-PCH2SPh)2]CF3SO3, 3. The crystal structure of complex 2 has the sterically unhindered Pd(II) and Au(I) at a distance of 314 pm: Quasirelativistic pseudopotential calculations on [AuPdCl3(PH2CH2SH)(SH2)] models give short Au - Pd distances at the second-order Moller - Plesset (MP2) level and long Au - Pd distances at Hartree - Fock (HF) level. A detailed analysis of the Au - Pd interaction shows dominant dispersion, some ionic contributions, and no net charge transfer between the metals.