The relation between formal potential and structure of indophenols and molecular mechnism of electrooxidation
文献类型：期刊论文
| 作者 | Zhu YC ; Cheng GJ ; Dong SJ |
| 刊名 | acta physico-chimica sinica
 |
| 出版日期 | 2000 |
| 卷号 | 16期号:2页码:111-115 |
| ISSN号 | 1000-6818 |
| 通讯作者 | dong sj |
| 中文摘要 | the molecular structural parameters of indophenol and its derivatives were calculated by semi-empirical molecular orbital quantum chemical method,the relation between molecular structural parameters and formal potentials was analyzed by principal factor analysis and multiple linear regression method. it was found that the formal potential of indophenols has a good relation with two-center electron exchange energy, e-ex (2), resonance energy of o-c bond, e-ex (c-1-o), and molecular ionization potential, i-p, among 19 moleclular structural parameters. the regression equation is e-0' = 1. 47 x 10 (-3) e-ex (two) - 5. 74 x 10 (-2) e-ex (c-1 - o) - 1. 41 x 10 (-2) i-p with rc = 0. 9999 and sd = 0. 00424. it was confirmed by the relation between structure parameters and formal potentials, and the thermodynamic stability of its intermediate products that the h (+) ionization is prior to the electron transfer step in the oxidation mechanism. |
| 收录类别 | SCI收录期刊论文 |
| 语种 | 中文 |
| WOS记录号 | WOS:000085561300004 |
| 公开日期 | 2010-11-04 |
| 源URL | [http://202.98.16.49/handle/322003/19887]  |
| 专题 | 长春应用化学研究所_长春应用化学研究所知识产出_期刊论文 |
| 推荐引用方式 GB/T 7714 | Zhu YC,Cheng GJ,Dong SJ. The relation between formal potential and structure of indophenols and molecular mechnism of electrooxidation[J]. acta physico-chimica sinica,2000,16(2):111-115. |
| APA | Zhu YC,Cheng GJ,&Dong SJ.(2000).The relation between formal potential and structure of indophenols and molecular mechnism of electrooxidation.acta physico-chimica sinica,16(2),111-115. |
| MLA | Zhu YC,et al."The relation between formal potential and structure of indophenols and molecular mechnism of electrooxidation".acta physico-chimica sinica 16.2(2000):111-115. |
入库方式： OAI收割
来源：长春应用化学研究所
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