Počet záznamů: 1

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

SYSNO ASEP	0361581
Druh ASEP	J - Článek v odborném periodiku
Zařazení RIV	J - Článek v odborném periodiku
Poddruh J	Článek ve WOS
Název	Fischer aminocarbene complexes of chromium and iron: Anomalous electrochemical reduction of p-carbonyl substituted derivatives
Tvůrce(i)	Hoskovcová, I. (CZ) Zvěřinová, R. (CZ) Roháčová, J. (CZ) Dvořák, D. (CZ) Tobrman, T. (CZ) Záliš, Stanislav (UFCH-W)_{RID, ORCID} Ludvík, Jiří (UFCH-W)_{RID, ORCID}
Zdroj.dok.	Electrochimica acta. - : Elsevier - ISSN 0013-4686 Roč. 56, č. 19 (2011), s. 6853-6859
Poč.str.	7 s.
Jazyk dok.	eng - angličtina
Země vyd.	GB - Velká Británie
Klíč. slova	DFT calculations ; electrochemistry ; Fischer aminocarbene complexes
Vědní obor RIV	CG - Elektrochemie
CEP	IAA400400813 GA AV ČR - Akademie věd
CEZ	AV0Z40400503 - UFCH-W (2005-2011)
UT WOS	000293438600038
DOI	10.1016/j.electacta.2011.05.096
Anotace	This contribution shows how a small change of a remote substituent (COOCH3 for e.g. OCH3) 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. During investigation of redox properties of extended series of title compounds, an exceptionally positive reduction potential was observed (non fitting the LFER plot) for p-COOR substituents. This effect is caused by a strong intramolecular electronic interaction, which is specific for p-phenylene dicarbonyl compounds. In this context, the CN bond in aminocarbene moiety has a double bond character and resembles carbonyl function. The interpretation was proved by DFT calculations.
Pracoviště	Ústav fyzikální chemie J.Heyrovského
Kontakt	Michaela Knapová, michaela.knapova@jh-inst.cas.cz, Tel.: 266 053 196
Rok sběru	2012

Počet záznamů: 1