Steric and Electronic Effects in Gold N‐Heterocyclic Carbene Complexes Revealed by Computational Analysis

A computational analysis of a series of cationic and neutral gold imidazolylidene and benzimidizolylidene complexes is reported. The Bond Dissociation Energies of the various ligands in the complexes calculated at the PBE0‐D3/def2‐TZVP level of theory increase with increasing ligand volume, except f...

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Detalles Bibliográficos
Autores principales: de Kock, Sunel, Dillen, Jan, Esterhuysen, Catharine
Formato: Online Artículo Texto
Lenguaje:English
Publicado: John Wiley and Sons Inc. 2019
Materias:
Full Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6488199/
https://www.ncbi.nlm.nih.gov/pubmed/31061779
http://dx.doi.org/10.1002/open.201900076

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6488199/
https://www.ncbi.nlm.nih.gov/pubmed/31061779
http://dx.doi.org/10.1002/open.201900076

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