Three p-tert-Butylthiacalix[4]arene-Supported Cobalt Compounds Obtained in One Pot Involving In Situ Formation of N6H2 Ligand
文献类型：期刊论文
| 作者 | Bi, Yanfeng1,3; Liao, Wuping1; Xu, Guancheng2; Deng, Ruiping1; Wang, Meiyan1,3; Wu, Zhijian1; Gao, Song2; Zhang, Hongjie1 |
| 刊名 | INORGANIC CHEMISTRY
 |
| 出版日期 | 2010-09-06 |
| 卷号 | 49期号:17页码:7735-7740 |
| ISSN号 | 0020-1669 |
| DOI | 10.1021/ic1005105 |
| 英文摘要 | Three p-tert-butylthiacalix[4]arene (H(4)TC4A)-supported Co-II compounds, [Co-4(TC4A)(N-3)(4)(N6H2)(CH3OH)](CH3OH)(2) (1), [Co-8(TC4A)(2)(N-3)(2)(N6H2)(2)(CH3COO)(4)(CH3OH)(4)](OH)(2)(CH3OH)(4) (2), and [Co-10(TC(4)A)(4)(N-3)(4)](CH3OH)(4) (3), have been solvothermally obtained in one pot and structurally characterized by single-crystal X-ray diffraction analyses, powder XRD, and IR spectroscopy. This work presents the first one-dimensional (1) cobalt cluster for the calixarene complexes and another two octanuclear (2) or decanuclear (3) cobalt clusters. In the structures of compounds 1 and 2, a novel N6H2 ligand formed by the in situ (2 + 3) cycloaddition of two azides was observed. Density functional theory (DFT) calculations give the heat of formation (2N(3)(-) + 2H(+) -> N6H2) and decomposition energy (N6N2 -> 3N(2) + H-2) of 677.47 and 124.85 kcaVmol, respectively. Furthermore, an intergradation was determined at the B3LYP/6-311++g(d,p) level for the formation of the N6H2 ligand. In addition, one TC4A ligand of a sandwich unit adopts a cone conformation, while the other adopts a pinched cone conformation in 3. The magnetic properties of these three compounds were influenced mainly by the orbital contributions of the distorted octahedral Co-II ions. |
| 语种 | 英语 |
| WOS记录号 | WOS:000281231800025 |
| 出版者 | AMER CHEMICAL SOC |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/70289]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Liao, Wuping |
| 作者单位 | 1.Chinese Acad Sci, Changchun Inst Appl Chem, State Key Lab Rare Earth Resource Utilizat, Changchun 130022, Peoples R China 2.Peking Univ, Beijing Natl Lab Mol Sci, State Key Lab Rare Earth Mat Chem & Applicat, Coll Chem & Mol Engn, Beijing 100871, Peoples R China 3.Chinese Acad Sci, Grad Sch, Beijing 100049, Peoples R China |
| 推荐引用方式 GB/T 7714 | Bi, Yanfeng,Liao, Wuping,Xu, Guancheng,et al. Three p-tert-Butylthiacalix[4]arene-Supported Cobalt Compounds Obtained in One Pot Involving In Situ Formation of N6H2 Ligand[J]. INORGANIC CHEMISTRY,2010,49(17):7735-7740. |
| APA | Bi, Yanfeng.,Liao, Wuping.,Xu, Guancheng.,Deng, Ruiping.,Wang, Meiyan.,...&Zhang, Hongjie.(2010).Three p-tert-Butylthiacalix[4]arene-Supported Cobalt Compounds Obtained in One Pot Involving In Situ Formation of N6H2 Ligand.INORGANIC CHEMISTRY,49(17),7735-7740. |
| MLA | Bi, Yanfeng,et al."Three p-tert-Butylthiacalix[4]arene-Supported Cobalt Compounds Obtained in One Pot Involving In Situ Formation of N6H2 Ligand".INORGANIC CHEMISTRY 49.17(2010):7735-7740. |
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来源：化学研究所
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