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Effect of metal exchange (Os vs Ru) and co-ligand variation (Cl- vs acac-) on the oxidation state distribution in complexes of an o-phenylenediamido(2-)/o-quinonediimine redox system
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SYSNO ASEP 0332443 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title Effect of metal exchange (Os vs Ru) and co-ligand variation (Cl- vs acac-) on the oxidation state distribution in complexes of an o-phenylenediamido(2-)/o-quinonediimine redox system Title Vliv záměny kovu (Os vs Ru) a variace co-ligandu (Cl- vs acac-) na distribuci oxidačních stavů v komplexech obsahujících o-phenylenediamido(2-)/o-quinonediimine redox system Author(s) Chetterjee, S. (IN)
Singh, P. (DE)
Fiedler, Jan (UFCH-W) RID, ORCID
Baková, Radka (UFCH-W)
Záliš, Stanislav (UFCH-W) RID, ORCID
Kaim, W. (DE)
Goswami, S. (IN)Source Title Dalton Transactions. - : Royal Society of Chemistry - ISSN 1477-9226
-, č. 37 (2009), s. 7778-7785Number of pages 8 s. Language eng - English Country GB - United Kingdom Keywords dencity functional calculation ; order regular approximation ; electron transfer series Subject RIV CF - Physical ; Theoretical Chemistry R&D Projects OC 139 GA MŠMT - Ministry of Education, Youth and Sports (MEYS) KAN100400702 GA AV ČR - Academy of Sciences of the Czech Republic (AV ČR) OC09043 GA MŠMT - Ministry of Education, Youth and Sports (MEYS) CEZ AV0Z40400503 - UFCH-W (2005-2011) UT WOS 000269835800028 DOI 10.1039/b906913e Annotation The compounds OsCl2L2 (1), RuCl2L2 (2) and Ru(acac)(2)L (3), L degrees = N-phenyl-o-quinonediimine and acac(-) = 2,4-pentanedionato, have been synthesised and electrochemically, spectroscopically and structurally characterised with the support of detailed DFT calculations. For the new osmium compound 1, the average values for C=NH (1.331 angstrom), C=NPh (1.345 angstrom) and C=C(meta) bond lengths at 1.360 angstrom agree more with an o-semiquinonediimine than with an o-quinonediimine formulation for the coordinated ligand, whereas the latter assignment is more appropriate to describe the ruthenium analogue 2 (average bond lengths of 1.308, 1.324 and 1.348 angstrom, respectively). In turn, the corresponding average bond lengths in 3 (1.333, 1.352 and 1.350 angstrom, respectively) are suggestive of an o-semiquinonediimine ligand. DFT calculations confirm the structural data and describe the electronic structures related to the oxidation state assignments. Workplace J. Heyrovsky Institute of Physical Chemistry Contact Michaela Knapová, michaela.knapova@jh-inst.cas.cz, Tel.: 266 053 196 Year of Publishing 2010
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