Structure of the Cu(Salen) molecule Cuo2N2C16H14 according to gas-phase electron diffraction data and quantum chemical calculations

Autor:	G. V. Girichev, A. Yu. Rogachev, Nina I. Giricheva, Yu. S. Medvedeva, N. P. Kuz'mina
Rok vydání:	2009
Předmět:	Solid-state physics Vapor pressure Evaporation chemistry.chemical_element Mass spectrometry Copper Inorganic Chemistry chemistry.chemical_compound Crystallography Monomer chemistry Electron diffraction Materials Chemistry Molecule Physical and Theoretical Chemistry
Zdroj:	Journal of Structural Chemistry. 50:52-59
ISSN:	1573-8779 0022-4766
Popis:	In the framework of synchronous gas-phase electron diffraction and mass spectrometry experiment, the saturated vapor of N,N′-ethylenebis(salicylaldiminate) copper(II) CuO2N2C16H14 is studied at a temperature T 574(5) K. It is found that evaporation is congruent and the saturated vapor consists of monomeric molecules. Electron diffraction data are proved to correspond to the geometric model for the CuO2N2C16H14 molecule of C2 symmetry with an almost planar structure of the CuN2O2 coordination fragment and internuclear distances \( r_{h_1 } \)(Cu-O) = 1.917(13) A and \( r_{h_1 } \)(Cu-N) = 1.931(15) A. The stuctural parameters obtained are compared to those quantum chemically calculated and molecular parameters in crystals.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::919e2a029a165c912c643d59ba1a07df https://doi.org/10.1007/s10947-009-0007-1 Zobrazit plný text záznamu Plný text ve formátu PDF