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• W2035360049 abstract "Abstract A survey of 18 paramagnetic species [L n Ru(NO)] k , including seven 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, phosphanes, carbonyl, cyclopentadienides, halides, hydride, hydroxide, thiocyanate or cyanide: g 1 = 2.015 ± 0.02, g 2 = 1.990 ± 0.015, g 3 = 1.892 ± 0.03, g av = 1.968 ± 0.02, Δ g = g 1 − g 3 = 0.122 ± 0.037, A 2 ( 14 N) = 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 nitrosyliron species with S = 1/2; apparently, the {RuNO} 7 configuration involves a rather invariant and relatively covalent metal−NO interaction. DFT calculations were employed for [(NC) 5 Ru(NO)] 3− to reproduce the EPR data, to evaluate the spin distribution (58% spin density on NO), and to reveal structural changes on reduction such as the Ru−N−O bending and Ru−NO bond lengthening. In addition, the possibility of staggered and eclipsed conformations is discussed. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2004)" @default.
• W2035360049 created "2016-06-24" @default.
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• W2035360049 date "2004-07-01" @default.
• W2035360049 modified "2023-09-30" @default.
• W2035360049 title "EPR Insensitivity of the Metal‐Nitrosyl Spin‐Bearing Moiety in Complexes [L_<i>n</i>Ru^II‐NO^·]^<i>k</i>" @default.
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• W2035360049 doi "https://doi.org/10.1002/ejic.200400042" @default.
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