Theoretical study on the unimolecular fragmentation of ionized tetrahydroimidazole-substituted methylene beta-diketones
文献类型：期刊论文
| 作者 | Wei JH ; She YM ; Xu WG ; Liu SY |
| 刊名 | chemical journal of chinese universities-chinese
 |
| 出版日期 | 1997 |
| 卷号 | 18期号:10页码:1692-1694 |
| 关键词 | ION-NEUTRAL COMPLEXES GAS-PHASE CHEMISTRY |
| ISSN号 | 0251-0790 |
| 中文摘要 | semiempirical molecular orbital calculations on the unimolecular mass spectrometric fragmentation of tetrahydroimidazole-substituted methylene beta-diketones are carried out by austin model 1 method, and the calculated results give a strong support to our experimental results reported previously. the optimum of the investigated molecular configuration indicates that the two hydrogen atoms attached to nitrogen atom have different activities due to their chemical environment; the relative energies of the ions in fragmentation pathway of ionized tetrahydroimidazole-substituted methylene beta-diketones provide indirectly an evidence for both the existence of ion/neutral complex and the stabilities of these ions. |
| 收录类别 | SCI收录期刊论文 |
| 语种 | 中文 |
| 公开日期 | 2010-12-22 ; 2011-06-09 |
| 源URL | [http://ir.ciac.jl.cn/handle/322003/23979]  |
| 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 | Wei JH,She YM,Xu WG,et al. Theoretical study on the unimolecular fragmentation of ionized tetrahydroimidazole-substituted methylene beta-diketones[J]. chemical journal of chinese universities-chinese,1997,18(10):1692-1694. |
| APA | Wei JH,She YM,Xu WG,&Liu SY.(1997).Theoretical study on the unimolecular fragmentation of ionized tetrahydroimidazole-substituted methylene beta-diketones.chemical journal of chinese universities-chinese,18(10),1692-1694. |
| MLA | Wei JH,et al."Theoretical study on the unimolecular fragmentation of ionized tetrahydroimidazole-substituted methylene beta-diketones".chemical journal of chinese universities-chinese 18.10(1997):1692-1694. |
入库方式： OAI收割
来源：长春应用化学研究所
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