Title of article :
Theoretical study of the closed-shell d10–d10 Au(I)–Cu(I) attraction in complexes in extended unsupported chains
Author/Authors :
Rodrيguez-Castillo، نويسنده , , Marيa and Monge، نويسنده , , Miguel and Lَpez-de-Luzuriaga، نويسنده , , José M. and Elena Olmos، نويسنده , , M. and Laguna، نويسنده , , Antonio and Mendizabal، نويسنده , , Fernando، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2011
Pages :
5
From page :
163
To page :
167
Abstract :
Model compounds are used to study the metallophilic attraction between gold and copper atoms. Ab initio calculations on dimers and tetramers in different distributions of the simplified units are analyzed. An attraction is found for all models and there is a reasonable agreement between the experimental and theoretical geometries.
Keywords :
Gold(I) , Copper(I) , Metallophilic interaction
Journal title :
Computational and Theoretical Chemistry
Serial Year :
2011
Journal title :
Computational and Theoretical Chemistry
Record number :
2284811
Link To Document :
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