AM1 study of a novel crowned [60]fulleropyrrolidine
文献类型：期刊论文
| 作者 | Guo, Z; Yan, J; Li, Y; Ge, Z; Zhu, D |
| 刊名 | SYNTHETIC METALS
 |
| 出版日期 | 1999-06-01 |
| 卷号 | 102期号:1-3页码:1567-1568 |
| 关键词 | Semi-empirical Models And Model Calculations Fullerenes And Derivatives |
| ISSN号 | 0379-6779 |
| 英文摘要 | The computations of the electronic structures and properties of a novel crowned [60]fulleropyrrolidine (CFP) were performed by means of AMI methods. It has been indicated that CFP has four isomers. The study of electronic structures showed that the energy levers of frontier orbitals are determined mainly by C-60. C-60 acted as an electronic acceptor, whereas crown ether acted as an electronic donor, which implies there exists intramolecular charge transfer effect in this molecule. The study of non-linear optical properties implied the hyperpolarizability of CFP can match that of p-nitroaniline. |
| 语种 | 英语 |
| WOS记录号 | WOS:000081056400340 |
| 出版者 | ELSEVIER SCIENCE SA |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/75293]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Guo, Z |
| 作者单位 | Acad Sinica, Inst Chem, Beijing 100080, Peoples R China |
| 推荐引用方式 GB/T 7714 | Guo, Z,Yan, J,Li, Y,et al. AM1 study of a novel crowned [60]fulleropyrrolidine[J]. SYNTHETIC METALS,1999,102(1-3):1567-1568. |
| APA | Guo, Z,Yan, J,Li, Y,Ge, Z,&Zhu, D.(1999).AM1 study of a novel crowned [60]fulleropyrrolidine.SYNTHETIC METALS,102(1-3),1567-1568. |
| MLA | Guo, Z,et al."AM1 study of a novel crowned [60]fulleropyrrolidine".SYNTHETIC METALS 102.1-3(1999):1567-1568. |
入库方式： OAI收割
来源：化学研究所
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