Experimental and Theoretical Interpretation on the Magnetic Behavior in a Series of Pentagonal-Bipyramidal Dy-III Single-Ion Magnets
文献类型：期刊论文
| 作者 | Li, Min1; Wu, Haipeng1; Yang, Qi1; Ke, Hongshan1; Yin, Bing1; Shi, Quan2; Wang, Wenyuan1; Wei, Qing1; Xie, Gang1; Chen, Sanping1 |
| 刊名 | CHEMISTRY-A EUROPEAN JOURNAL
 |
| 出版日期 | 2017-12-14 |
| 卷号 | 23期号:70页码:17775-17787 |
| 关键词 | Dysprosium Magnetic Relaxation Schiff Base Ligands Single-ion Magnets Superparamagnetic Behavior |
| ISSN号 | 0947-6539 |
| DOI | 10.1002/chem.201703755 |
| 文献子类 | Article |
| 英文摘要 | Taking advantage of the steric hindrance and charge-driving effects, four air-stable pentagonal bipyramidal mononuclear Dy-III compounds were hydrothermally synthesized. With a tetradentate ligand, N,N'-bis(2-methylenepyridinyl)ethylenediamine (Bpen), invariably coordinates to Dy-III in an equatorial plan, 1-3 achieve an orderly transformation of the ligand field by sequentially replacing the remaining sites of the Dy-III ion. Compound 4 possesses the same coordination atoms but a different peripheral coordination sphere with 3. Magnetic characterizations display that the compounds are field-induced single-ion magnets (SIM) with actually low barriers, even though 2 has both the same atoms and a similar geometry of the first sphere compared with [Dy(bbpen)Cl] (2, H(2)bbpen=N,N'-bis(2-hydroxybenzyl)-N,N'-bis(2-methylpyridyl)ethylenediamin), a high-performance SIM previously reported. Detailed ab initio calculations have been employed to further elucidate the electronic and magnetic structure of the low-lying energy levels of compounds 1-4 and 2'. The theoretical results indicate there is an apparent difference in the electronic structure for these compounds. The analysis on the electrostatic potential further demonstrates that although the pentagonal bipyramidal D-5h is one of the ideal configurations expected, the electron density of the donor atoms from the different hybridizations and other functional groups, outside the first sphere, should also be considered in the rational design of promising molecular magnets. |
| WOS关键词 | MONONUCLEAR DYSPROSIUM COMPLEX ; MOLECULE MAGNETS ; AB-INITIO ; ANISOTROPY BARRIER ; LOCAL SYMMETRY ; LIGAND-FIELD ; RELAXATION ; TEMPERATURE ; QUASI-D-5H ; BLOCKING |
| WOS研究方向 | Chemistry |
| 语种 | 英语 |
| WOS记录号 | WOS:000418075600022 |
| 出版者 | WILEY-V C H VERLAG GMBH |
| 源URL | [http://cas-ir.dicp.ac.cn/handle/321008/168384]  |
| 专题 | 大连化学物理研究所_中国科学院大连化学物理研究所 |
| 通讯作者 | Yin, Bing; Chen, Sanping |
| 作者单位 | 1.Northwest Univ, Coll Chem & Mat Sci, Minist Educ, Key Lab Synthet & Nat Funct Mol Chem, Xian 710069, Shaanxi, Peoples R China 2.Chinese Acad Sci, Dalian Inst Chem Phys, A457 Zhongshan Rd, Dalian 116023, Peoples R China |
| 推荐引用方式 GB/T 7714 | Li, Min,Wu, Haipeng,Yang, Qi,et al. Experimental and Theoretical Interpretation on the Magnetic Behavior in a Series of Pentagonal-Bipyramidal Dy-III Single-Ion Magnets[J]. CHEMISTRY-A EUROPEAN JOURNAL,2017,23(70):17775-17787. |
| APA | Li, Min.,Wu, Haipeng.,Yang, Qi.,Ke, Hongshan.,Yin, Bing.,...&Chen, Sanping.(2017).Experimental and Theoretical Interpretation on the Magnetic Behavior in a Series of Pentagonal-Bipyramidal Dy-III Single-Ion Magnets.CHEMISTRY-A EUROPEAN JOURNAL,23(70),17775-17787. |
| MLA | Li, Min,et al."Experimental and Theoretical Interpretation on the Magnetic Behavior in a Series of Pentagonal-Bipyramidal Dy-III Single-Ion Magnets".CHEMISTRY-A EUROPEAN JOURNAL 23.70(2017):17775-17787. |
入库方式： OAI收割
来源：大连化学物理研究所
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