Experimental and theoretical study of substituent effects of Iodonitrobenzenes
文献类型：期刊论文
| 作者 | Yao, Li; Du, Lin; Ge, Maofa; Ma, Chunping; Wang, Dianxun |
| 刊名 | JOURNAL OF PHYSICAL CHEMISTRY A
 |
| 出版日期 | 2007-10-11 |
| 卷号 | 111期号:40页码:10105-10110 |
| ISSN号 | 1089-5639 |
| DOI | 10.1021/jp073605r |
| 英文摘要 | The electronic structures and substituent effects of o-, m-, and p-iodonitrobenzene have been studied by ultraviolet photoelectron spectroscopy (UPS). The observed bands were interpreted on the basis of empirical arguments and theoretical calculations. The analysis of electronic effects of the donor/acceptor substituent groups is essential for the reliable assignment of the observed photoelectron spectra. The investigation of pi-and n-orbital ionization potentials enabled us to describe the correlation between substituent effects and the relative reactivities of the iodonitrobenzenes. It was found that the energy order of the pi(2) and n(ll) orbitals is reversed as a result of the combined influence of the electron- withdrawing nitro group and the electron-donating iodine atom. Distinct changes of the pi and n bands occur in o-iodonitrobenzene. This characteristic depends on the conjugation between the pi orbitals of the benzene ring and the nitro group and the interaction of in-plane lone pairs of iodine and one of the oxygen atoms of the nitro group in the adjacent position. This might contribute to the high reactivity of o-iodonitrobenzene in a number of reactions. |
| 语种 | 英语 |
| WOS记录号 | WOS:000249987100013 |
| 出版者 | AMER CHEMICAL SOC |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/60529]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Ge, Maofa |
| 作者单位 | 1.Chinese Acad Sci, Inst Chem, Beijing Natl Lab Mol Sci, State Key Lab Struct Chem Unstable & Stable S, Beijing 100080, Peoples R China 2.Chinese Acad Sci, Grad Sch, Beijing 100039, Peoples R China |
| 推荐引用方式 GB/T 7714 | Yao, Li,Du, Lin,Ge, Maofa,et al. Experimental and theoretical study of substituent effects of Iodonitrobenzenes[J]. JOURNAL OF PHYSICAL CHEMISTRY A,2007,111(40):10105-10110. |
| APA | Yao, Li,Du, Lin,Ge, Maofa,Ma, Chunping,&Wang, Dianxun.(2007).Experimental and theoretical study of substituent effects of Iodonitrobenzenes.JOURNAL OF PHYSICAL CHEMISTRY A,111(40),10105-10110. |
| MLA | Yao, Li,et al."Experimental and theoretical study of substituent effects of Iodonitrobenzenes".JOURNAL OF PHYSICAL CHEMISTRY A 111.40(2007):10105-10110. |
入库方式： OAI收割
来源：化学研究所
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