| Literature DB >> 20043681 |
Tao He1, Nikolay P Tsvetkov, José G Andino, Xinfeng Gao, Benjamin C Fullmer, Kenneth G Caulton.
Abstract
Collision of H(2) with the unusual nickel complex, (PNP)Ni(+), where PNP = ((t)Bu(2)PCH(2)SiMe(2))(2)N, forms a rare dihydrogen complex of the d(8) configuration which then rearranges to heterolytically cleave the H-H bond. Experimental studies support a short H/H distance in the coordinated diatomic, and DFT calculations show that the transition state for heterolysis, in spite of the fact that this involves an amide nitrogen located trans to the H(2), has the H/H bond fully split, and has all the geometric features of Ni(IV), but this is a local maximum, not a minimum.Entities:
Year: 2010 PMID: 20043681 DOI: 10.1021/ja908674x
Source DB: PubMed Journal: J Am Chem Soc ISSN: 0002-7863 Impact factor: 15.419