Počet záznamů: 1
Bis(acetylacetonato)ruthenium Complexes of Noninnocent 1,2-Dioxolene Ligands: Qualitatively Different Bonding in Relation to Monoimino and Diimino Analogues
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SYSNO ASEP 0369092 Druh ASEP J - Článek v odborném periodiku Zařazení RIV J - Článek v odborném periodiku Poddruh J Článek ve WOS Název Bis(acetylacetonato)ruthenium Complexes of Noninnocent 1,2-Dioxolene Ligands: Qualitatively Different Bonding in Relation to Monoimino and Diimino Analogues Tvůrce(i) Das, D. (IN)
Sarkar, B. (DE)
Kumbhakar, D. (IN)
Mondal, T. P. (IN)
Mobin, S. M. (IN)
Fiedler, Jan (UFCH-W) RID, ORCID
Urbanos, F. A. (ES)
Jimenez-Aparicio, R. (ES)
Kaim, W. (DE)
Lahiri, G. K. (IN)Zdroj.dok. Chemistry - A European Journal. - : Wiley - ISSN 0947-6539
Roč. 17, č. 39 (2011), s. 11030-11040Poč.str. 9 s. Jazyk dok. eng - angličtina Země vyd. DE - Německo Klíč. slova density functional calculations ; magnetic properties ; ruthenium Vědní obor RIV CF - Fyzikální chemie a teoretická chemie CEP GA203/09/0705 GA ČR - Grantová agentura ČR LD11082 GA MŠMT - Ministerstvo školství, mládeže a tělovýchovy CEZ AV0Z40400503 - UFCH-W (2005-2011) UT WOS 000296262400032 DOI 10.1002/chem.201101009 Anotace Coordination compounds [Ru(acac)(2)(Q)] (acac = acetylacetonate; Q = o-benzoquinone) were prepared as complexes 1 (Q = o-benzoquinone), 2 (Q = 3-methoxy-o-benzoquinone), 3 (Q = 4-methyl-o-benzoquinone), and 4 (Q = 3,5-di-tert-butyl-o-benzoquinone). The structures of 1 and 2 were determined to reveal a Ru(III)/o-benzosemiquinone formulation, supported by analysis of experimental data (spectroscopy, magnetism of 1) and by DFT calculations. The S = 1 ground state calculated for 1 stands in contrast to the spin-paired analogues with arylimino-o-benzosemiquinonato and diimino-o-benzoquinone ligands. The close contacts of about 5.3 angstrom possible between semiquinone O atoms of different molecules in the crystal allow for intermolecular spin-spin interactions and an overall complex magnetic behavior. One quasireversible oxidation and two reversible one-electron reductions yielded the corresponding molecular ions, which were characterized by UV-visible-NIR and EPR spectroelectrochemistry in terms of [Ru(III)(acac)(2)(Q(0))](+), [Ru(III)(acac)(2)(Q(2-))](-), and [Ru(II)(acac)(2)(Q(2-))](2-) descriptions in agreement with DFT results. 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