Steric and Electronic Effects in Gold N‐Heterocyclic Carbene Complexes Revealed by Computational Analysis
Abstract 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,...
Main Authors: | , , |
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Format: | Article |
Language: | English |
Published: |
Wiley-VCH
2019-04-01
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Series: | ChemistryOpen |
Subjects: | |
Online Access: | https://doi.org/10.1002/open.201900076 |