Coordination chemistry of half-open trozircenes: Adduct formation of [(η7-C7H7)Zr(η5-2,4-C7H11)] with isocyanides, phosphines and N-heterocyclic carbenes

Autor:	Richard D. Ernst, Andreas Glöckner, Peter G. Jones, Atta M. Arif, Matthias Tamm, Thomas Bannenberg, Constantin G. Daniliuc
Rok vydání:	2010
Předmět:	chemistry.chemical_classification Zirconium Isocyanide Trimethylphosphine chemistry.chemical_element Photochemistry Medicinal chemistry Adduct Coordination complex Inorganic Chemistry chemistry.chemical_compound chemistry Materials Chemistry Physical and Theoretical Chemistry Carbene
Zdroj:	Inorganica Chimica Acta. 364:23-29
ISSN:	0020-1693
Popis:	The reactions of the half-open trozircene [(η7-C7H7)Zr(η5-2,4-C7H11)] (1) with the two-electron donor ligands tert-butyl isocyanide (CN-tBu), 1,2-bis(dimethylphosphino)ethane (dmpe), trimethylphosphine (PMe3) and 1,3,4,5-tetramethylimidazolin-2-ylidene (IMe, :C[N(Me)C(Me)]2) have led to the 1:1 adducts 3, 4, 5 and 6, respectively. The latter three were structurally characterized by X-ray diffraction analysis. Additionally, the stability of the adducts was probed by DFT calculations employing the B3LYP and M05-2X functionals showing that the strongly σ-basic N-heterocyclic carbene forms a thermodynamically much more stable adduct than the other three.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::b7abea2888186c709f2bd4c718f3d984 https://doi.org/10.1016/j.ica.2010.06.049 Zobrazit plný text záznamu Full Text from ScienceDirect