Density-functional theory studies on standard electrode potentials of   half reaction for L-adrenaline and adrenalinequinone

doi:10.1016/j.bmcl.2005.07.084

CORC > 北京大学 > 化学与分子工程学院

	Density-functional theory studies on standard electrode potentials of half reaction for L-adrenaline and adrenalinequinone
	Song, YZ ; Zhou, JF ; Song, Y ; Wei, YG ; Wang, H
刊名	生物有机化学与医药化学通讯
	2005
关键词	L-adrenaline adrenalinequinone DFT IR spectrum cyclic voltammetry standard electrode potential BIOCHEMICAL REACTANTS CARBON ELECTRODES OXIDATION CATECHOLAMINES EPINEPHRINE SPECTRA CHARGE ACID
DOI	10.1016/j.bmcl.2005.07.084
英文摘要	DFT (B3LY/6-31G(d) and B3PW91/6-31G(d)) calculations are performed for L-adrenaline and adrenalinequinone. The calculated IR spectrum Of L-adrenaline is used for the assignment of IR frequencies that are observed in the experimental IR spectrum. Cyclic voltammetry with a platinum electrode Of L-adrenaline solutions in phosphate buffers at pH I shows that standard electrode potential of half reaction for L-adrenaline and adrenalinequinone is 0.803 V. Standard electrode potential of half reaction for L-adrenaline and adrenalinequinone is calculated using the energies of solvation and the sum of electronic and thermal free energies Of L-adrenaline and adrenalinequinone. (c) 2005 Elsevier Ltd. All rights reserved.; http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000232465900005&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=8e1609b174ce4e31116a60747a720701 ; Chemistry, Medicinal; Chemistry, Organic; SCI(E); 12; ARTICLE; 21; 4671-4680; 15
语种	英语
内容类型	期刊论文
源URL	[http://ir.pku.edu.cn/handle/20.500.11897/257664]
专题	化学与分子工程学院
推荐引用方式 GB/T 7714	Song, YZ,Zhou, JF,Song, Y,et al. Density-functional theory studies on standard electrode potentials of half reaction for L-adrenaline and adrenalinequinone[J]. 生物有机化学与医药化学通讯,2005.
APA	Song, YZ,Zhou, JF,Song, Y,Wei, YG,&Wang, H.(2005).Density-functional theory studies on standard electrode potentials of half reaction for L-adrenaline and adrenalinequinone.生物有机化学与医药化学通讯.
MLA	Song, YZ,et al."Density-functional theory studies on standard electrode potentials of half reaction for L-adrenaline and adrenalinequinone".生物有机化学与医药化学通讯 (2005).