Organometallics

N-Heterocyclic Carbene Based Nickel and Palladium Complexes: A DFT Comparison of the Mizoroki–Heck Catalytic Cycles

VH Menezes da Silva, AAC Braga, TR Cundari

Index: Gogsig, Thomas M.; Kleimark, Jonatan; Nilsson Lill, Sten O.; Korsager, Signe; Lindhardt, Anders T.; Norrby, Per-Ola; Skrydstrup, Troels Journal of the American Chemical Society, 2012 , vol. 134, # 1 p. 443 - 452

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Abstract

... Select a Journal or Book. ... E-mail: ataualpa@iq.usp.br., *E-mail: Thomas.Cundari@unt ... Optimized geometry structures of Pd-(NHC) 2 and Ni-(NHC) 2 are given in Figure 1. Both complexes are linear with optimized M–NHC bonds distances of 1.850 and 2.049 Å for M = Ni and ...