Formation, structure and properties of GeCn +/- and Ge2Cn +/- binary clusters
文献类型：期刊论文
| 作者 | Cao, YL; Li, GL; Tang, ZC |
| 刊名 | CHINESE SCIENCE BULLETIN
 |
| 出版日期 | 2005-05-01 |
| 卷号 | 50期号:9页码:845-852 |
| 关键词 | Germanium/carbon Binary Clusters Density Functional Theory Dissociation Channel Parity Effect |
| ISSN号 | 1001-6538 |
| DOI | 10.1360/04wb0042 |
| 英文摘要 | The binary cluster ions Ge2Cn+/Ge2Cn- and GeCn+ have been produced by laser ablation. The parity effect is present in the negative ions Ge2Cn-, though it is not very prominent. While the experiments tell that the parity effect is totally not shown in the positive ions Ge2Cn+. An extensive theoretical investigation on GeCn/GeCn+/GeCn-(n = 1-10) and Ge2Cn/Ge2Cn+/Ge2Cn-(n = 1-9) has been carried out by density functional theory at B3LPY level. The calculation shows that the low-lying states of GeCn/GeCn+/GeCn-(n = 1-10) and Ge2Cn/Ge2Cn+/Ge2Cn- (n = 1-9) are linear structure with germanium atoms locating at terminals respectively. The electronic distributions, ionization potential (IPnd), electron affinity (EA) and increasing bonding energy reveal that the parity effect of neutral species is much stronger than that of ions, which is attributed to the valence pi-electrons. It is explained that the differences between experiments and calculations are due to the kinetic factor in the formation of Ge2Cn +/-. |
| 语种 | 英语 |
| WOS记录号 | WOS:000230474700003 |
| 出版者 | SCIENCE PRESS |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/56213]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Tang, ZC |
| 作者单位 | Chinese Acad Sci, Inst Chem, Ctr Mol Sci, State Key Lab Mol React Dynam, Beijing 100080, Peoples R China |
| 推荐引用方式 GB/T 7714 | Cao, YL,Li, GL,Tang, ZC. Formation, structure and properties of GeCn +/- and Ge2Cn +/- binary clusters[J]. CHINESE SCIENCE BULLETIN,2005,50(9):845-852. |
| APA | Cao, YL,Li, GL,&Tang, ZC.(2005).Formation, structure and properties of GeCn +/- and Ge2Cn +/- binary clusters.CHINESE SCIENCE BULLETIN,50(9),845-852. |
| MLA | Cao, YL,et al."Formation, structure and properties of GeCn +/- and Ge2Cn +/- binary clusters".CHINESE SCIENCE BULLETIN 50.9(2005):845-852. |
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来源：化学研究所
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