| Literature DB >> 28067356 |
Anne K Hickey1, Sean A Lutz1, Chun-Hsing Chen1, Jeremy M Smith1.
Abstract
The ground state structure of [Ph2B(tBuIm)2Fe(CO)2]- is trigonal pyramidal (S = 1), with a thermally accessible square planar (S = 0) geometry. Experimentally calibrated electronic structure calculations provide evidence for two-state reactivity, with C-H oxidative addition on the singlet surface providing an iron(ii) product (S = 0).Entities:
Year: 2017 PMID： 28067356 DOI： 10.1039/c6cc09244f
Source DB: PubMed Journal: Chem Commun (Camb) ISSN： 1359-7345 Impact factor: 6.222