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Quantifying electronic similarities between NHC-gold(I) complexes and their isolobal imidazolium precursors
Physical Chemistry, Chemical Physics - PCCP
A series of NHC-gold(I) (NHC = N-heterocyclic carbene) complexes has been studied by DFT calculations, enabling comparison of electronic and NMR behaviour with related protonated and free NHC molecules. Based...doi:10.1039/c9cp02844g fatcat:kdnyrrmasjg3vnzhkr4gdpvelm