Why does Togni&apos;s reagent I exist in the high-energy hypervalent iodine   form? Re-evaluation of benziodoxole based hypervalent iodine reagents

doi:10.1039/c6cc00384b

CORC > 北京大学 > 化学与分子工程学院

	Why does Togni's reagent I exist in the high-energy hypervalent iodine form? Re-evaluation of benziodoxole based hypervalent iodine reagents
	Sun, Tian-Yu ; Wang, Xiao ; Geng, Hao ; Xie, Yaoming ; Wu, Yun-Dong ; Zhang, Xinhao ; Schaefer, Henry F., III
刊名	CHEMICAL COMMUNICATIONS
	2016
关键词	DENSITY-FUNCTIONAL THEORY ELECTROPHILIC TRIFLUOROMETHYLATION TRANS-INFLUENCE CONCERTED MECHANISM REACTIVITY COMPLEXES LIGANDS DFT ELECTRONEGATIVITY ALKYNYLATION
DOI	10.1039/c6cc00384b
英文摘要	Togni's reagents have become very popular trifluoromethylating reagents in organic synthesis. The existing form of Togni's reagent I is a hypervalent iodine compound which lies much higher in energy than its ether isomer. The high-energy hypervalent iodine form makes Togni's reagent I very effective and versatile. The energy differences between the two forms correlate with the trans influence of the substituents. The five-membered ring in the benziodoxole-based scaffold is an important reason for its existence in the higher-energy form. The relation to Buchwald's 2014 research is discussed.; NSFC [21133002, 21302006, 21232001]; MOST of China [2013CB911501]; U.S. National Science Foundation [CHE-1361178]; [JCYJ20140509093817689]; [KC2014ZDZJ0026A]; SCI(E); PubMed; ARTICLE; qc@uga.edu; zhangxh@pkusz.edu.cn; 31; 5371-5374; 52
语种	英语
内容类型	期刊论文
源URL	[http://ir.pku.edu.cn/handle/20.500.11897/434671]
专题	化学与分子工程学院
推荐引用方式 GB/T 7714	Sun, Tian-Yu,Wang, Xiao,Geng, Hao,et al. Why does Togni's reagent I exist in the high-energy hypervalent iodine form? Re-evaluation of benziodoxole based hypervalent iodine reagents[J]. CHEMICAL COMMUNICATIONS,2016.
APA	Sun, Tian-Yu.,Wang, Xiao.,Geng, Hao.,Xie, Yaoming.,Wu, Yun-Dong.,...&Schaefer, Henry F., III.(2016).Why does Togni's reagent I exist in the high-energy hypervalent iodine form? Re-evaluation of benziodoxole based hypervalent iodine reagents.CHEMICAL COMMUNICATIONS.
MLA	Sun, Tian-Yu,et al."Why does Togni's reagent I exist in the high-energy hypervalent iodine form? Re-evaluation of benziodoxole based hypervalent iodine reagents".CHEMICAL COMMUNICATIONS (2016).