A G2(+) level investigation of the gas-phase non-ldentity S(N)2 reactions of halides with halodimethylamine
文献类型：期刊论文
| 作者 | Ren, Y; Zhu, HJ |
| 刊名 | JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY
 |
| 出版日期 | 2004-05-01 |
| 卷号 | 15期号:5页码:673-680 |
| 关键词 | NEUTRAL NITROGEN NUCLEOPHILIC-SUBSTITUTION INTRINSIC BARRIERS METHYL HALIDES SN2 DISPLACEMENT CARCINOGENS ANIONS OXYGEN MODEL |
| ISSN号 | 1044-0305 |
| 通讯作者 | Ren, Y (reprint author), Sichuan Univ, Fac Chem, POB 73, Chengdu 610064, Peoples R China. yiren57@hotmail.com |
| 英文摘要 | The gas-phase non-identity S(N)2 reactions on nitrogen Y- + NMe2X --> NMe2Y + X- (Y, X = F, Cl, Br, and I) were evaluated at the G2(+) level. The reactions are exothermic only when the nucleophile is the lighter halide. The complexation enthalpies for complexes Y- ... Me2NX are found to correlate with electronegativity of X. Both central and overall barriers can be interpreted with the aid of Marcus equation. Kinetic and thermodynamic investigations predict that the nucleophilicity of X- decreases in the order: F- > Cl- > Br- > I- and the leaving-group ability increases in the order: F < Cl < Br < I. (C) 2004 American Society for Mass Spectrometry. |
| 学科主题 | Chemistry, Analytical; Chemistry, Physical; Spectroscopy |
| 类目[WOS] | Chemistry, Analytical ; Chemistry, Physical ; Spectroscopy |
| 研究领域[WOS] | Chemistry ; Spectroscopy |
| 关键词[WOS] | NEUTRAL NITROGEN ; NUCLEOPHILIC-SUBSTITUTION ; INTRINSIC BARRIERS ; METHYL HALIDES ; SN2 ; DISPLACEMENT ; CARCINOGENS ; ANIONS ; OXYGEN ; MODEL |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000221340800006 |
| 公开日期 | 2012-10-12 |
| 源URL | [http://ir.kib.ac.cn/handle/151853/15450]  |
| 专题 | 昆明植物研究所_植物化学与西部植物资源持续利用国家重点实验室 |
| 作者单位 | 1.Sichuan Univ, Fac Chem, Chengdu 610064, Peoples R China 2.CAS, State Key Lab Phytochem & Plant Resources W China, Kunming, Peoples R China |
| 推荐引用方式 GB/T 7714 | Ren, Y,Zhu, HJ. A G2(+) level investigation of the gas-phase non-ldentity S(N)2 reactions of halides with halodimethylamine[J]. JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY,2004,15(5):673-680. |
| APA | Ren, Y,&Zhu, HJ.(2004).A G2(+) level investigation of the gas-phase non-ldentity S(N)2 reactions of halides with halodimethylamine.JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY,15(5),673-680. |
| MLA | Ren, Y,et al."A G2(+) level investigation of the gas-phase non-ldentity S(N)2 reactions of halides with halodimethylamine".JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY 15.5(2004):673-680. |
入库方式： OAI收割
来源：昆明植物研究所
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