Fischer aminocarbene complexes of chromium and iron: Anomalous electrochemical reduction of p-carbonyl substituted derivatives

This contribution shows how a small change of a remote substituent (COOCH 3 for e.g. OCH 3) on Fischer aminocarbene complexes can change totally the LUMO location, and thus electron distribution, extent of π-electron delocalization and, consequently, redox properties of these potential catalysts. Du...

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Veröffentlicht in:	Electrochimica acta Jg. 56; H. 19; S. 6853 - 6859
Hauptverfasser:	Hoskovcová, Irena, Zvěřinová, Radka, Roháčová, Jana, Dvořák, Dalimil, Tobrman, Tomáš, Záliš, Stanislav, Ludvík, Jiří
Format:	Journal Article
Sprache:	Englisch
Veröffentlicht:	Kidlington Elsevier Ltd 30.07.2011 Elsevier
Schlagworte:	Bonding Carbonyl and nitrosyl metals Chemistry Chromium Derivatives DFT calculations Electrochemistry Electrode potentials Electronics Exact sciences and technology Fischer aminocarbene complexes Fittings General and physical chemistry Inorganic chemistry and origins of life Iron Kinetics and mechanism of reactions LFER LUMO location Mathematical analysis Preparations and properties Electrochemistry LUMO location Fischer aminocarbene complexes LFER DFT calculations Chromium Organic compounds Chromium Carbonyl Complexes Orbital interaction Ylidene complex Chemical reduction Ester Carboxylic acid Chlorine Organic compounds Aminocarbene Electrochemical reaction Ether Frontier orbital Benzene derivatives Theoretical study Transition metal Carbonyl Complexes Iron Organic compounds Iron Carbonyl Complexes Density functional method Fluorine Organic compounds Kinetics
ISSN:	0013-4686, 1873-3859
Online-Zugang:	Volltext
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