Normal to abnormal ItBu·AlH3 isomerization in solution and in the solid state

Autor:	Alexey Y. Timoshkin, Manfred Scheer, A. M. Chernysheva, Michael A. K. Weinhart
Rok vydání:	2020
Předmět:	Inorganic Chemistry Solvent Diffraction chemistry.chemical_compound Chemical substance chemistry Polarity (physics) Science technology and society Photochemistry Single crystal Carbene Isomerization
Zdroj:	Dalton Transactions. 49:4665-4668
ISSN:	1477-9234 1477-9226
DOI:	10.1039/c9dt04698d
Popis:	A complex of an N-heterocyclic carbene ItBu (1,3-di-tert-butylimidazolin-2-ylidene) and aluminum hydride was observed to isomerize into an abnormal carbene complex aItBu·AlH3 (aItBu = 1,3-di-tert-butylimidazolin-4-ylidene) in a polar solvent, and, for the first time, in the solid state. ItBu·AlH3 and aItBu·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.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::f79519c642275da80b5c198a73c9d2b0 https://doi.org/10.1039/c9dt04698d Zobrazit plný text záznamu