2D HetCOR NMR Spectrum and Structure ofDicarbonyl(η5-N-methylcarbamoylcyclopentadienyl)cobalt(CO)2Co(η5-C5H4CONHCH3)

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题名:	2D HetCOR NMR Spectrum and Structure ofDicarbonyl(η5-N-methylcarbamoylcyclopentadienyl)cobalt(CO)2Co(η5-C5H4CONHCH3)
其它题名:	化合物 (CO)2Co(η5-C5H4CONHCH3) 二維異核NMR 光譜及結構分析
作者:	王玉蘋，林傳宗，鄭秀瑤，林哲生 Wang,Yu-Pin;Lin,Chwan-Tzong;Cheng, Hsiu-Yao;Lin,Tso-Shen
贡献者:	東海大學理學院
关键词:	Cobalt, Cobaltacene, Carboxamide, HetCOR NMR, B3LYP
日期:	2013-07-01
上传时间:	2013-11-05T06:56:19Z (UTC)
出版者:	台中市：東海大學
摘要:	Dicarbonyl(?5-N-methylcarbamoylcyclopentadienyl)cobalt (5) was prepared by the reaction of the corresponding acid chloride withmethylamine. The structure of 5 has been determined by X-ray diffraction studies: space group, P21/c; monoclinic; a = 10.767(3), b = 9.869(2), c =9.555(3) ?, ? = 105.58(2)° ; Z = 4. The exocyclic carbon is bent away from the cobalt atom with an angle ? of –0.54°. The chemical shifts of C(2,5)and C(3,4) on the Cp ring were assigned using two-dimensional HetCOR NMR spectroscopy. The electron density distribution in thecyclopentadienyl ring of the Cp(Co) was discussed on the basis of 13C NMR data and compared with calculations via the density functionalB3LYP exchange-correlation method.
關聯:	東海科學第15卷, p.1-22
显示于类别:	[理學院] (校內出版品)東海科學

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