期刊論文
| 學年 | 102 |
|---|---|
| 學期 | 2 |
| 出版（發表）日期 | 2014-05-01 |
| 作品名稱 | Towards Relative Populations of Non-Isomeric Metallofullerenes: La@C76(Td) vs. La2@C76(Cs, 17490) |
| 作品名稱（其他語言） | |
| 著者 | Zdenĕk Slanina; Filip Uhlik; Lee, Shyi-Long; Wang, Bo-Cheng; Ludwik Adamowick; Mitsuaki Suzuki; Masayuki Haranka; Lai Feng; Xing Lu; Shigeru Nagase; Takeshi Akasaka |
| 單位 | 淡江大學化學學系 |
| 出版者 | Philadelphia: Taylor & Francis Inc. |
| 著錄名稱、卷期、頁數 | Fullerenes, Nanotubes and Carbon Nanostructures 22(1-3), pp.299-306 |
| 摘要 | Recently, a new member of the lanthanum-containing metallofullerene family has been isolated and its structure determined from X-ray crystallographic analysis, namely LaTd@Cs(Td, 17490), even with two pairs of connected pentagons, hence violating the isolated-pentagon rule (IPR). In order to explain the interesting observation, a computational treatment is suggested for evaluations of the relative populations of nonisomeric metallofullerenes. As a comparative reference structure, the most stable La@cCs isomer is selected — the IPR-C 2(76)-cage based endohedral La@cCs(76). In the relevant temperature region, the La 76@cTd(76, 17490) species should be considerably more populated compared to La@cTd(2). The new computational stability treatment is applicable to a wider spectrum of nonisomeric metallofullerenes. |
| 關鍵字 | |
| 語言 | en_US |
| ISSN | 1536-383X |
| 期刊性質 | 國外 |
| 收錄於 | SCI |
| 產學合作 | |
| 通訊作者 | Zdeněk Slanina |
| 審稿制度 | 是 |
| 國別 | USA |
| 公開徵稿 | |
| 出版型式 | ,紙本 |
| 相關連結 |
機構典藏連結 ( http://tkuir.lib.tku.edu.tw:8080/dspace/handle/987654321/98703 ) |