Insertion of O-H bond of Rh(II)-methylene carbene into alcohols: A stepwise mechanism more plausible than a concerted mechanism

	Insertion of O-H bond of Rh(II)-methylene carbene into alcohols: A stepwise mechanism more plausible than a concerted mechanism
	Liu Zhen-feng; Wang Yong; Yue Xian-fang; Han Ke-li
刊名	chemical research in chinese universities
	2007-03-01
卷号	23 期号:2 页码:221-225
关键词	oxonium ylide 1 density functional calculation dirhodium(II) methylene carbene 2-hydrogen shift
英文摘要	the mechanisms of insertion of o-h bond of rh(ii)-methylene carbene into methanol and ethanol were studied by using b3lyp functional both in gas phase and in ch2cl2. the formation of free alcoholic oxonium ylides is found to be impossible. alcoholic oxonium ylide are formed as the intermediates before both the stepwise and the concerted transition states of insertion of o-h bond of rh(ii)-methylene carbene into methanol and ethanol. with regard to the mechanisms of insertion of o-h of rh(ii)-methylene carbene into alcohols, analysis of the energy barriers of the two mechanisms indicate that the stepwise mechanism is more plausible than the concerted mechanism.
WOS标题词	science & technology ; physical sciences
类目[WOS]	chemistry, multidisciplinary
研究领域[WOS]	chemistry
关键词[WOS]	free-energy correlation ; dirhodium(ii) carboxylates ; 3-component reaction ; catalyzed-reactions ; amine derivatives ; diazo-compounds ; ylide formation ; cyclopropenation ; carbonyl ; cyclopropanation
收录类别	SCI
语种	英语
WOS记录号	WOS:000245615800023
公开日期	2015-11-17
内容类型	期刊论文
源URL	[http://159.226.238.44/handle/321008/140510]
专题	大连化学物理研究所_中国科学院大连化学物理研究所
作者单位	Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China
推荐引用方式 GB/T 7714	Liu Zhen-feng,Wang Yong,Yue Xian-fang,et al. Insertion of O-H bond of Rh(II)-methylene carbene into alcohols: A stepwise mechanism more plausible than a concerted mechanism[J]. chemical research in chinese universities,2007,23(2):221-225.
APA	Liu Zhen-feng,Wang Yong,Yue Xian-fang,&Han Ke-li.(2007).Insertion of O-H bond of Rh(II)-methylene carbene into alcohols: A stepwise mechanism more plausible than a concerted mechanism.chemical research in chinese universities,23(2),221-225.
MLA	Liu Zhen-feng,et al."Insertion of O-H bond of Rh(II)-methylene carbene into alcohols: A stepwise mechanism more plausible than a concerted mechanism".chemical research in chinese universities 23.2(2007):221-225.