Aurophilicity: The Effect of the Neutral Ligand L on [{ClAuL}2] Systems

Authors

  • Jesús Muñiz,

    1. Department of Chemistry, University of Helsinki, P.O.B. 55 (A.I. Virtasen aukio 1), 00014 Helsinki (Finland), Fax: (+358) 9-191-50169
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  • Cong Wang,

    1. Department of Chemistry, University of Helsinki, P.O.B. 55 (A.I. Virtasen aukio 1), 00014 Helsinki (Finland), Fax: (+358) 9-191-50169
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  • Prof. Pekka Pyykkö

    Corresponding author
    1. Department of Chemistry, University of Helsinki, P.O.B. 55 (A.I. Virtasen aukio 1), 00014 Helsinki (Finland), Fax: (+358) 9-191-50169
    • Department of Chemistry, University of Helsinki, P.O.B. 55 (A.I. Virtasen aukio 1), 00014 Helsinki (Finland), Fax: (+358) 9-191-50169
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Abstract

The effect of the ligand L on the aurophilic AuI⋅⋅⋅AuI closed-shell interaction in perpendicular [{ClAuL}2] model systems is investigated. An analogous study of the effect of the halide X (here Cl) exists, and showed a correlation with the softness of the ligand X. In this work, we study the correlation with L=N-heterocyclic carbenes (NHC), cyclic diphosphinocarbenes (PHC), NF3, CO, methyl isocyanide CN[BOND]Me, PF3, SH2, NH3, H2O, pyridine, triazene, the carbodiphosphorene model [BOND]C(PH3)2, C3H2, and the related model systems CN2 or CP2. The NHCs yield stronger interactions than PH3. The spatial orientation of certain ligands in a “paddle” configuration plays an important role on the strength of the interaction. All are examples on aurophilicity.

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