X-ray structure and density functional theory studies of an unexpected product: trans-bis{2-[ ( 2-cyanoethyl)- iminomethyl] phenolato}copper(II).

Autor:	Corsini, Maddalena, Zanello, Piero, Cini, Renzo, Tamasi, Gabriella
Předmět:	ORGANOCOPPER compounds X-ray crystallography MOLECULAR structure DENSITY functionals X-ray diffraction ANIONS
Zdroj:	Acta Crystallographica: Section C (Wiley-Blackwell); Jun2009, Vol. 65 Issue 6, pm219-m223, 5p, 4 Diagrams, 1 Chart
Abstrakt:	The article deals with the X-ray structure and density functional theory analyses of an organometallic compound called trans-bis{2-[(2-cyanoethyl)-iminomethyl] phenolato}copper(II). In describing the molecular structure of the compound, it is noted that the location of the copper centre is on a crystallographic inversion centre. According to the authors, the DFT analysis reproduced the X-ray diffraction structure well and allowed them to infer the insertion of the cyanomethide anion on the 3,5-bis(trifluoromethyl)phenyl system.
Databáze:	Complementary Index
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