Open-Shell Singlet Character of Stable Derivatives of Nonacene, Hexacene and Teranthene
文献类型：期刊论文
| 作者 | Gao XF(高兴发) ; Gao, XF; Hodgson, JL; Jiang, DE; Zhang, SB; Nagase, S; Miller, GP; Chen, ZF
|
| 刊名 | ORGANIC LETTERS
 |
| 出版日期 | 2011 |
| 卷号 | 13期号:13页码:3316-3319 |
| 通讯作者 | [Chen, Zhongfang] Univ Puerto Rico, Dept Chem, San Juan, PR 00931 USA ; [Gao, Xingfa] Chinese Acad Sci, Inst High Energy Phys, Key Lab Biomed Effects Nanomat & Nanosafety, Beijing 100049, Peoples R China ; [Hodgson, Jennifer L. ; Miller, Glen P.] Univ New Hampshire, Dept Chem, Durham, NH 03824 USA ; [Hodgson, Jennifer L. ; Miller, Glen P.] Univ New Hampshire, Mat Sci Program, Durham, NH 03824 USA ; [Jiang, De-en] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA ; [Zhang, Shengbai B.] Rensselaer Polytech Inst, Dept Phys Appl Phys & Astron, Troy, NY 12180 USA ; [Nagase, Shigeru] Natl Inst Nat Sci, Inst Mol Sci, Dept Theoret & Computat Mol Sci, Okazaki, Aichi 4448585, Japan |
| 英文摘要 | The electronic ground states of the recently synthesized stable nonacene derivatives (J. Am. Chem. Soc. 2010, 132, 1261) are open-shell singlets with a polyradical nature instead of closed-shell singlets as originally, assumed, according to the unrestricted broken spin-symmetry density functional theory (UBS-DFT) computations (at B3LYP/6-31G*). It is the bulky protecting groups, not the transfer from the open-shell singlet to closed-shell singlet ground state, that stabilizes these longest characterized acenes. Similar analyses also confirmed the open-shell singlet character of the hexacene and teranthene derivatives. |
| 学科主题 | Chemistry |
| 类目[WOS] | Chemistry, Organic |
| 研究领域[WOS] | Chemistry |
| 原文出处 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000291920800008 |
| 源URL | [http://ir.ihep.ac.cn/handle/311005/239892]  |
| 专题 | 高能物理研究所_多学科研究中心 |
| 作者单位 | 中国科学院高能物理研究所 |
| 推荐引用方式 GB/T 7714 | Gao XF,Gao, XF,Hodgson, JL,et al. Open-Shell Singlet Character of Stable Derivatives of Nonacene, Hexacene and Teranthene[J]. ORGANIC LETTERS,2011,13(13):3316-3319. |
| APA | 高兴发.,Gao, XF.,Hodgson, JL.,Jiang, DE.,Zhang, SB.,...&Chen, ZF.(2011).Open-Shell Singlet Character of Stable Derivatives of Nonacene, Hexacene and Teranthene.ORGANIC LETTERS,13(13),3316-3319. |
| MLA | 高兴发,et al."Open-Shell Singlet Character of Stable Derivatives of Nonacene, Hexacene and Teranthene".ORGANIC LETTERS 13.13(2011):3316-3319. |
入库方式： OAI收割
来源：高能物理研究所
浏览0
下载0
收藏0
其他版本
除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。