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- W2255355909 startingPage "117" @default.
- W2255355909 abstract "Bearing the versatility of N-heterocyclic carbene (NHC) ligands, here density functional theory (DFT) calculations unravel the capacity of coordination of a deprotonated NHC ligand (pNHC) to generate a doubly C2,N3-bridged dinuclear complex. Here, in particular the discussion is based on the combination of the deprotonated 1-arylimidazol (aryl = mesityl (Mes)) with [M(cod)(μ-Cl)] (M = Ir, Rh) generated two geometrical isomers of complex [M(cod){µ-C 3 H 2 N 2 (Mes)-κC2,κN3}] 2 ). The latter two isomers display conformations head-to-head (H-H) and head-to-tail (H-T) of C S and C 2 symmetry, respectively. The isomerization from the H-H to the H-T conformation is feasible, whereas next substitutions of the cod ligand by CO first, and PMe 3 later confirm the H-T coordination as the thermodynamically preferred. It is envisaged the exchange of the metal, from iridium to rhodium, confirming here the innocence of the nature of the metal for such arrangements of the bridging ligands." @default.
- W2255355909 created "2016-06-24" @default.
- W2255355909 creator A5091859825 @default.
- W2255355909 date "2016-01-22" @default.
- W2255355909 modified "2023-09-30" @default.
- W2255355909 title "Versatile deprotonated NHC: C,N-bridged dinuclear iridium and rhodium complexes" @default.
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- W2255355909 doi "https://doi.org/10.3762/bjoc.12.13" @default.
- W2255355909 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/4734348" @default.
- W2255355909 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/26877814" @default.