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• W2012619889 abstract "Bei der Umsetzung von Na2[IrCl6] mit NaSCN in 2N HCl entsteht ein Gemisch verschiedener Chlororhodanoiridate(III) aus dem die Bindungsisomeren trans-[IrCl2(SCN)4]3− und trans-[IrCl2(NCS)(SCN)3]3− durch Ionenaustauschchromatographie an Diethylaminoethyl-Cellulose isoliert werden können. Röntgenstrukturanalysen an Einkristallen von trans-(n-Bu4N)3[IrCl2(SCN)4] (1) (monoklin, Raumgruppe P21/a, a = 18,009(4), b = 15,176(3), c = 23,451(4) Å, β = 93,97(2)°, Z = 4) und trans-(Me4N)3[IrCl2(NCS)(SCN)3] (2) (monoklin, Raumgruppe P21/a, a = 17,146(5), b = 9,583(5), c = 18,516(5) Å, β = 109,227(5)°, Z = 4) zeigen, daß die Komplexanionen in beiden Verbindungen geordnet vorliegen. Die über S bzw. N koordinierten Thiocyanatogruppen sind unter IrSCWinkeln von 105,7–109,7° und dem IrNCWinkel von 171,4° gebunden. Die Torsionswinkel ClIrSC und NIrSC betragen 3,6–53,0°. Unter Verwendung der röntgenographisch ermittelten Molekülparameter lassen sich die IR- und Raman-Spektren von (1) durch Normalkoordinatenanalyse zuordnen. Die Valenzkraftkonstanten betragen fd(IrS) = 1,52 und fd(IrCl) = 1,72 mdyn/Å. Preparation, Crystal Structures, Vibrational Spectra, and Normal Coordinate Analysis of the Linkage Isomeric Chlororhodanoiridates(III) trans-[IrCl2(SCN)4]3− and trans-[IrCl2(NCS)(SCN)3]3− By treatment of Na2[IrCl6] with NaSCN in 2N HCl the linkage isomers trans-[IrCl2(SCN)4]3− and trans-[IrCl2(NCS)(SCN)3]3− are formed which have been separated by ion exchange chromatography on diethylaminoethyl cellulose. X-ray structure determinations on single crystals of trans-(n-Bu4N)3[IrCl2(SCN)4] (1) (monoclinic, space group P21/a, a = 18.009(4), b = 15.176(3), c = 23.451(4) Å, β = 93.97(2)°, Z = 4) and trans-(Me4N)3[IrCl2(NCS)(SCN)3] (2) (monoclinic, space group P21/a, a = 17.146(5), b = 9.583(5), c = 18.516(5) Å, β = 109.227(5)°, Z = 4) reveal the complete ordering of the complex anions. The via S or N coordinated thiocyanate groups are bonded with IrSC angles of 105.7–109.7° and the IrNC angle of 171.4°. The torsion angles ClIrSC and NIrSC are 3.6–53.0°. The IR and Raman spectra of (1) are assigned by normal coordinate analysis using the molecular parameters of the X-ray determination. The valence force constants are fd(IrS) = 1.52 and fd(IrCl) = 1.72 mdyn/Å." @default.
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• W2012619889 date "1997-11-01" @default.
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• W2012619889 title "Darstellung, Kristallstrukturen, Schwingungsspektren und Normalkoordinatenanalyse der bindungsisomeren Chlororhodanoiridate(III)trans-[IrCl2(SCN)4]3? undtrans-[IrCl2(NCS)(SCN)3]3?" @default.
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• W2012619889 doi "https://doi.org/10.1002/zaac.19976231119" @default.
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