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EPR Insensitivity of the Metal-Nitrosyl Spin-Bearing Moiety in Complexes [Ln RuII-NO.DEG.]k
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SYSNO ASEP 0101137 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Ostatní články Title EPR Insensitivity of the Metal-Nitrosyl Spin-Bearing Moiety in Complexes [Ln RuII-NO.DEG.]k Title EPR necitlivost části nesoucí spin kov - nitrosyl v komplexech [Ln RuII-NO]k Author(s) Frantz, S. (DE)
Sarkar, B. (DE)
Sieger, M. (DE)
Kaim, W. (DE)
Roncaroli, F. (AR)
Olabe, J. A. (AR)
Záliš, Stanislav (UFCH-W) RID, ORCIDSource Title European Journal of Inorganic Chemistry. - : Wiley - ISSN 1434-1948
-, č. 14 (2004), s. 2902-2907Number of pages 6 s. Language eng - English Country DE - Germany Keywords density functional calculations ; EPR spectroscopy ; nitric oxide Subject RIV CF - Physical ; Theoretical Chemistry R&D Projects OC D14.20 GA MŠMT - Ministry of Education, Youth and Sports (MEYS) CEZ AV0Z4040901 - UFCH-W Annotation A survey of 18 paramagnetic species [LnRu(NO)]k, including 7 new examples studied by in situ electrolysis, reveals a surprisingly narrow range of EPR parameters despite a wide variety of ligands such as pyridine, polypyridines, imines, amines, nitriles, phosphines, carbonyl, cyclopentadienides, halides, hydride, hydroxide, thiocyanate or cyanide: g1 = 2.015 ±0.02, g2 = 1.990 ±0.015, g3 = 1.892 ±0.03, gav = 1.968 ±0.02, .DELTA.g = g1-g3 = 0.122 ±0.037, A2(14N) = 3.3 ±0.5 mT. This rather small variability, smaller still if the organometallic compounds are excluded, differs from the wider range of EPR data reported for (S=1/2)-nitrosyliron species; apparently, the {RuNO}7 configuration involves a rather invariant and relatively covalent metal-NO interaction. DFT calculations were employed for [(NC)5Ru(NO)]3- to reproduce the EPR data, to evaluate the spin distribution (58% spin density on NO). Workplace J. Heyrovsky Institute of Physical Chemistry Contact Michaela Knapová, michaela.knapova@jh-inst.cas.cz, Tel.: 266 053 196 Year of Publishing 2005
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