Evaluation of cyclic (am ino)(phosphino)-, and cyclic (alkyl)(a mino)carbene effects on the second generation of Grub bs' catalysts

There is abundant interest in N-heterocyclic carbenes (NHC) as a well-established class of new ligands in chemis try. Then m etal comple xes containi ng NHC lig ands are emerged as catalysts for a variety of transformations. The exclusive featur es of the M etal-NHC bond by transition metal complexes are interested due to t he importance of C-C bond formation in medicine, biolog y, and material science s. Hence, intensive studies to unders tand of the Metal-NHC bond are d eveloped by applying of advanced computational techniques. Grub bs' catalysts are ruthenium complexes that used as catalyst s for olefin metathesis. [۱]

کلیدواژه ها:

Grub bs' catalyst ، DFT calculation ، NBO ، QTAIM