Synthesis, structure and DFT study of asymmetrical NHC complexes of cymantrene derivatives and their application in the dehydrogenative dimerization reaction of …

R Fraser, PH van Rooyen, J de Lange… - Journal of …, 2017 - Elsevier
Asymmetrical NHC complexes of cymantrene and methylcymantrene have been
synthesised through the photochemical substitution of carbonyl ligands in the presence of
the imidazol-2-ylidene salts. The carbene substituents have been varied between compact
(L1) and bulky (L2 and L3) substituents to produce an array of differently sized carbene
ligands. The solid state crystal structures of three of the complexes confirmed the bonding
pattern of the ligand towards available metal centres and an in-depth DFT study provided …
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