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

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Title:	2D HetCOR NMR Spectrum and Structure ofDicarbonyl(η5-N-methylcarbamoylcyclopentadienyl)cobalt(CO)2Co(η5-C5H4CONHCH3)
Other Titles:	化合物 (CO)2Co(η5-C5H4CONHCH3) 二維異核NMR 光譜及結構分析
Authors:	王玉蘋，林傳宗，鄭秀瑤，林哲生 Wang,Yu-Pin;Lin,Chwan-Tzong;Cheng, Hsiu-Yao;Lin,Tso-Shen
Contributors:	東海大學理學院
Keywords:	Cobalt, Cobaltacene, Carboxamide, HetCOR NMR, B3LYP
Date:	2013-07-01
Issue Date:	2013-11-05T06:56:19Z (UTC)
Publisher:	台中市：東海大學
Abstract:	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.
Relation:	東海科學第15卷, p.1-22
Appears in Collections:	[College of Science] (School Publications)Tunghai Science

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