| Co(II) Schiff碱载氧载氮性能研究 |
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| 引用本文： | 李崇嘉,张文涛,郭国霖,谢有畅.Co(II) Schiff碱载氧载氮性能研究[J].物理化学学报,1994,10(3):230-234. |
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| 作者姓名： | 李崇嘉 张文涛 郭国霖 谢有畅 |
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| 作者单位： | Institute of Physical Chemistry, Peking University, Beijing 100871 |
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| 摘 要： | 运用INDO－UHF计算方法研究了CO(Ⅱ) Schiff碱的载氧特性，结果表明，Co(Ⅱ)与O_2的作用是通过σ键组合，并具有较明显的反铁磁性耦合作用, 论证了作为第五轴向配体在可逆载氧过程中的必要性，对比研究了Co－N_2的相互作用. 计算表明，CO(Ⅱ)的Schiff碱络合物可能作为氧氮分离的活性物质，从而具有一定的、潜在的工业应用价值.
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| 关 键 词： | 钴(II)希弗碱络合物 载氧载氮络合物 INDO-UHF方法 |
| 收稿时间： | 1992-08-12 |
| 修稿时间： | 1993-02-05 |
A Study on the Co(II) Schiff Base Complex with Carrying O2 and N2 Properties |
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| Li Chongjia, Zhang Wentao, Gao Guolin, Xie Youchang.A Study on the Co(II) Schiff Base Complex with Carrying O2 and N2 Properties[J].Acta Physico-Chimica Sinica,1994,10(3):230-234. |
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| Authors: | Li Chongjia Zhang Wentao Gao Guolin Xie Youchang |
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| Institution: | Institute of Physical Chemistry, Peking University, Beijing 100871 |
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| Abstract: | The character of Co(Ⅱ) Schiff base complex carrying O_2 was studied by INDO-UHF method. The results showed that the interaction between Co(Ⅱ) and O_2 was completed through σ bond, and the antiferro magnetic coupling was obvious. The ne cessity of fifth axial ligand in the reversible process of O_2 carring was discussed. The interaction between Co(Ⅱ) and N_2 was also studied in comparasion with Co-O_2. The cal culation showed that Co(Ⅱ) Schiff base have potential value for industrial application. |
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| Keywords: | Co(II) Schiff base complex INDO-UHF program Carrying O2 property |
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