FORMATION OF [C60C5H5] ADDUCT CATIONS AND THEORETICAL-STUDY OF THE ISOMERS
文献类型：期刊论文
| 作者 | GUO XH ; LIU ZY ; LIU SY |
| 刊名 | theochem-journal of molecular structure
 |
| 出版日期 | 1995 |
| 卷号 | 340页码:169-173 |
| 关键词 | ION-MOLECULE REACTIONS BUCKMINSTERFULLERENE C-60 DIMERIZATION SURFACES BENZENE |
| ISSN号 | 0166-1280 |
| 中文摘要 | we study here the reactions between c-60 and planar c5h5+ cations that lead to the formation of [c60c5h5](+) adduct cations in the chemical ionization source of the mass spectrometer. the structures, stabilities and charge locations of some possible isomers of [c60c5h5](+): sigma-adduct, pi-complex, [1,4]- and [1,2]-addition cations, are studied by am1 semiempirical molecular orbital calculations. we find that the most stable is the sigma-addition cation. another interesting and stable structure is the pi-complex cation which is bonded by the electrostatic interaction at the inter-ring distance of 1.589 angstrom with the c-5v symmetry. the c5h5+ cyclopentadienium cation seems to be an ''inverted umbrella'' sitting on a five-membered ring of the c-60 cage. |
| 收录类别 | SCI收录期刊论文 |
| 语种 | 英语 |
| 公开日期 | 2010-12-30 ; 2011-06-10 |
| 源URL | [http://ir.ciac.jl.cn/handle/322003/26465]  |
| 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 | GUO XH,LIU ZY,LIU SY. FORMATION OF [C60C5H5] ADDUCT CATIONS AND THEORETICAL-STUDY OF THE ISOMERS[J]. theochem-journal of molecular structure,1995,340:169-173. |
| APA | GUO XH,LIU ZY,&LIU SY.(1995).FORMATION OF [C60C5H5] ADDUCT CATIONS AND THEORETICAL-STUDY OF THE ISOMERS.theochem-journal of molecular structure,340,169-173. |
| MLA | GUO XH,et al."FORMATION OF [C60C5H5] ADDUCT CATIONS AND THEORETICAL-STUDY OF THE ISOMERS".theochem-journal of molecular structure 340(1995):169-173. |
入库方式： OAI收割
来源：长春应用化学研究所
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