Theoretical study on photoinduced magnetization process: Possible meta-stable molecular structure for a photomagnetic high-spin molecule [Mo-IV(CN)(2)(CN-CuL)(6)](8+)
文献类型：期刊论文
| 作者 | Wang, Bingwu; Wang, Mingwei; Chen, Zhida |
| 刊名 | POLYHEDRON
 |
| 出版日期 | 2007-06-15 |
| 卷号 | 26期号:9-11页码:2054-2058 |
| 关键词 | Photoinduced Magnetization Ferromagnetic Coupling Compounds Containing Mo-iv And Cu-(Ii) Dft Mrci |
| ISSN号 | 0277-5387 |
| DOI | 10.1016/j.poly.2006.09.099 |
| 英文摘要 | An intermediate in photoinduced magnetization process for the photomagnetic high-spin molecule [Mo-IV(CN)2(CN-CuL)(6)](8+) is studied with quantum chemistry calculations of the density functional theory and the ab initio multireference configuration interaction methods. It is found that the intramolecular electronic transfer from Mo-IV to Cu-II leads one trigonal-bipyamid coordinated Cun(II) to be changed to the tetrahedral coordinated Cut with the light irradiation. The calculated magnetic properties show that the paramagnetic system [Mo-IV(CN)(2)(CN-Cu"L)(6)](8+) with six isolated spin 1/2 Cu ions is changed to ferromagnetic coupling high-spin system [Mo-v(CN)(2)(CN-Cu"L)(5)(CN-(CuL)-L-1)](8+). These calculations will help to understand photoinduced magnetization phenomenon and provide a clue for the synthesization of new reversible photoinduced magnetic compounds. (c) 2006 Elsevier Ltd. All rights reserved. |
| 语种 | 英语 |
| WOS记录号 | WOS:000247700400050 |
| 出版者 | PERGAMON-ELSEVIER SCIENCE LTD |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/60637]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Chen, Zhida |
| 作者单位 | Peking Univ, Coll Chem & Mol Engn, Beijing Natl Lab Mol Sci, State Key Lab Rare Earth Mat Chem & Applicat, Beijing 100871, Peoples R China |
| 推荐引用方式 GB/T 7714 | Wang, Bingwu,Wang, Mingwei,Chen, Zhida. Theoretical study on photoinduced magnetization process: Possible meta-stable molecular structure for a photomagnetic high-spin molecule [Mo-IV(CN)(2)(CN-CuL)(6)](8+)[J]. POLYHEDRON,2007,26(9-11):2054-2058. |
| APA | Wang, Bingwu,Wang, Mingwei,&Chen, Zhida.(2007).Theoretical study on photoinduced magnetization process: Possible meta-stable molecular structure for a photomagnetic high-spin molecule [Mo-IV(CN)(2)(CN-CuL)(6)](8+).POLYHEDRON,26(9-11),2054-2058. |
| MLA | Wang, Bingwu,et al."Theoretical study on photoinduced magnetization process: Possible meta-stable molecular structure for a photomagnetic high-spin molecule [Mo-IV(CN)(2)(CN-CuL)(6)](8+)".POLYHEDRON 26.9-11(2007):2054-2058. |
入库方式： OAI收割
来源：化学研究所
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