The Mechanism of E-H (E = N, O) Bond Activation by a Germanium Corrole   Complex: A Combined Experimental and Computational Study

doi:10.1021/jacs.5b01121

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	The Mechanism of E-H (E = N, O) Bond Activation by a Germanium Corrole Complex: A Combined Experimental and Computational Study
	Fang, Huayi ; Jing, Huize ; Ge, Haonan ; Brothers, Penelope J. ; Fu, Xuefeng ; Ye, Shengfa
刊名	JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
	2015
关键词	HYDROGEN-ATOM TRANSFER COUPLED ELECTRON-TRANSFER APPROXIMATE COULOMB POTENTIALS DENSITY-FUNCTIONAL THEORY AUXILIARY BASIS-SETS MAIN-GROUP ELEMENTS PORPHYRIN COMPLEXES CORRELATION-ENERGY EXCHANGE REACTIONS TRANSITION-METALS
DOI	10.1021/jacs.5b01121
英文摘要	(TPFC)Ge(TEMPO) (1, TPFC = tris(pentafluorophenyl)corrole, TEMPO center dot =,(2,2,6,6-tetramethylpiperidin-1-yl)oxyl) shows high reactivity toward E-H (E N, O) bond cleavage in R1R2NH (R1R2 = HH, (PrH)-Pr-n, Pr-i(2), Et-2, PhH) and ROH (R = H, CH3) under visible light irradiation. Electron paramagnetic resonance (EPR) analyses together with the density functional theory (DFT) calculations reveal the E-H bond activation by [(TPFC)Ge](0)(2)/TEMPO center dot radical pair, generated by plintocleavage of the labile Ge-O bond In compound 1, involving two sequential steps: (i) coordination of substrates to [(TPFC)Ge] and (ii) E-H bond cleavage induced by TEMPO center dot through proton coupled electron transfer (PCET).; Natural Science Foundation of China [21171012, 21322108]; Max-Planck Society; SCI(E); EI; PubMed; ARTICLE; fuxf@pku.edu.cn; shengfa.ye@cec.mpg.de; 22; 7122-7127; 137
语种	英语
内容类型	期刊论文
源URL	[http://ir.pku.edu.cn/handle/20.500.11897/419382]
专题	化学与分子工程学院
推荐引用方式 GB/T 7714	Fang, Huayi,Jing, Huize,Ge, Haonan,et al. The Mechanism of E-H (E = N, O) Bond Activation by a Germanium Corrole Complex: A Combined Experimental and Computational Study[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,2015.
APA	Fang, Huayi,Jing, Huize,Ge, Haonan,Brothers, Penelope J.,Fu, Xuefeng,&Ye, Shengfa.(2015).The Mechanism of E-H (E = N, O) Bond Activation by a Germanium Corrole Complex: A Combined Experimental and Computational Study.JOURNAL OF THE AMERICAN CHEMICAL SOCIETY.
MLA	Fang, Huayi,et al."The Mechanism of E-H (E = N, O) Bond Activation by a Germanium Corrole Complex: A Combined Experimental and Computational Study".JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2015).