Normal to abnormal ItBu·AlH3 isomerization in solution and in the solid state. Issue 15 (3rd March 2020)

• Record Type: Journal Article
• Authors: Chernysheva, Anna M.; Weinhart, Michael; Scheer, Manfred; Timoshkin, Alexey Y.
• Is Part Of: Dalton transactions. Volume 49:Issue 15(2020)
• Page Start: 4665
• Page End: 4668
• Publication Date: 2020-03-03
• Subjects: Chemistry, Inorganic -- Periodicals; Chemistry, Physical and theoretical -- Periodicals; Chemistry, Inorganic -- Periodicals; 546.05
• DOI: 10.1039/c9dt04698d
• Languages: English
• ISSNs: 1477-9226

Abstract

Abstract : The first example of solid state normal to abnormal NHC complex isomerization is reported. Abstract : A complex of an N-heterocyclic carbene I t Bu (1, 3-di- tert -butylimidazolin-2-ylidene) and aluminum hydride was observed to isomerize into an abnormal carbene complex a I t Bu·AlH3 ( a I t Bu = 1, 3-di- tert -butylimidazolin-4-ylidene) in a polar solvent, and, for the first time, in the solid state. I t Bu·AlH3 and a I t Bu·AlH3 were structurally characterized by single crystal X-ray diffraction analysis. NMR studies and DFT computations indicate that the polarity of the solvent promotes the isomerization process. The possible pathways for the isomerization are discussed on the basis of the DFT computational studies.