2-Methyl-1-hexen-3-yne Lewis Base Stabilized β-Diketonate Copper(I) Complexes: X-ray Structures, Theoretical Study, and Low-Temperature Chemical Vapor Deposition of Copper Metal

Autor:	J. P. Senateur, E. Ruiz, J. Vaissermann, P. Doppelt, T.-Y. Chen
Rok vydání:	2001
Předmět:	Diketone chemistry.chemical_classification Double bond Chemistry Stereochemistry General Chemical Engineering chemistry.chemical_element General Chemistry Crystal structure Triple bond Copper Crystallography Transition metal Materials Chemistry Molecule Lewis acids and bases
Zdroj:	Chemistry of Materials. 13:3993-4004
ISSN:	1520-5002 0897-4756
DOI:	10.1021/cm0012318
Popis:	Four new β-diketonate copper(I) complexes containing the ene−yne 2-methyl-1-hexen-3-yne (MHY), [Cu(hfac)(MHY)] (hfac = hexafluoroacetylacetonate), [Cu(tfac)(MHY)] (tfac = 1,1,1-trifluoroacetylacetonate), [Cu(pfac)(MHY)] (pfac = perfluoroacetylacetonate), and [Cu(acac)(MHY)] (acac = acetylacetonate), have been synthesized and characterized by FT-IR and 1H and 13C NMR and three of them by an X-ray structural and elemental analysis. In these complexes, the triple bond is η2-coordinated to the copper atom while the double bond stays free. A theoretical study demonstrates that for these complexes a planar coordination around the copper ion is the most stable, with energy differences of 57.7, 44.9, 39.3, and 62.7 kJ/mol for the acac, tfac, hfac, and pfac complexes, respectively, when compared to a tetrahedral structure, which is another possible coordination mode for Cu(I). We also found that the orbital contribution of the fluorine atoms does not seem to be very relevant for the Cu−alkyne bond, but rather weak...
Databáze:	OpenAIRE
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