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2D HETCOR NMR Spectrum and Structure of Dicarbonyl(η5‐N,N‐dimethylcarbamoylcyclopentadienyl)nitrosylchromium [η5‐C5H4CON(CH3)2)]Cr(CO)2(NO)
Authors:Yu‐Pin Wang  Xen‐Hum Liu  Hsiu‐Yao Cheng  Tso‐Shen Lin
Affiliation:Department of Chemistry, Tunghai University, Taichung 407, Taiwan, ROC
Abstract:Dicarbonyl(η5‐N,N‐dimethylcarbamoylcyclopentadienyl)nitrosylchromium ( 5 ) was prepared by the reaction of the corresponding acid chloride with dimethylamine. The structure of 5 has been determined by X‐ray diffraction studies: space group, P‐1; monoclinic; a=6.406(7), b=8.805(8), c=10.710(10) Å, α=91.73(8), β=93.67(8), γ=101.96(8)°; Z=2. The exocyclic carbon is bent away from the chromium atom with a θ angle of ?0.27°. The nitrosyl group is cisoid to the exocyclic carbonyl carbon of the Cp(Cr) ring with a twist angle of 63.27°. The chemical shifts of C(2,5) and C(3,4) on the Cp ring has been assigned using two‐dimensional HETCOR NMR spectroscopy.
Keywords:Chromium  CpCr(CO)2(NO)  Nitrosyl  Carboxamide  HETCOR NMR
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