Chernysheva, Anna M. and Weinhart, Michael and Scheer, Manfred and Timoshkin, Alexey Y. (2020) Normal to abnormal (IBu)-Bu-t center dot AlH3 isomerization in solution and in the solid state. DALTON TRANSACTIONS, 49 (15). pp. 4665-4668. ISSN 1477-9226, 1477-9234
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A complex of an N-heterocyclic carbene (IBu)-Bu-t (1,3-di-tert-butylimidazolin-2-ylidene) and aluminum hydride was observed to isomerize into an abnormal carbene complex aItBu center dot AlH3 (aI(t)Bu = 1,3-ditert-butylimidazolin-4-ylidene) in a polar solvent, and, for the first time, in the solid state. (IBu)-Bu-t center dot AlH3 and aItBu center dot 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.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | POLARIZABLE CONTINUUM MODEL; INTEGRAL-EQUATION FORMALISM; N-HETEROCYCLIC CARBENE; RING EXPANSION; COMPLEXES; REACTIVITY; REARRANGEMENT; IMIDAZOLIUM; ACTIVATION; STABILITY; |
| Subjects: | 500 Science > 540 Chemistry & allied sciences |
| Divisions: | Chemistry and Pharmacy > Institut für Anorganische Chemie Chemistry and Pharmacy > Institut für Anorganische Chemie > Chair Prof. Dr. Manfred Scheer |
| Depositing User: | Dr. Gernot Deinzer |
| Date Deposited: | 26 Mar 2021 10:00 |
| Last Modified: | 26 Mar 2021 10:00 |
| URI: | https://pred.uni-regensburg.de/id/eprint/44726 |
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