Quantifying electronic similarities between NHC-gold(I) complexes and their isolobal imidazolium precursors

Luis Miguel Azofra, Rik Veenboer, Laura Falivene, Sai Vikrama Chaitanya Vikrama Chaitanya Vummaleti, Albert Poater, Steven P Nolan, Luigi Cavallo
2019 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