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(03): 230-234.
doi:
10.3866/PKU.WHXB19940308
Citation: Li Chong-Jia, Zhang Wen-Tao, Guo Guo-Lin, Xie You-Chang. A Study on the Co(II) Schiff Base Complex with Carrying O2 and N2 Properties[J]. Acta Physico-Chimica Sinica, 1994, 10(03): 230-234. doi: 10.3866/PKU.WHXB19940308
Citation: Li Chong-Jia, Zhang Wen-Tao, Guo Guo-Lin, Xie You-Chang. A Study on the Co(II) Schiff Base Complex with Carrying O2 and N2 Properties[J]. Acta Physico-Chimica Sinica, 1994, 10(03): 230-234. doi: 10.3866/PKU.WHXB19940308
Co(II) Schiff碱载氧载氮性能研究
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:
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钴(II)希弗碱络合物
- / 载氧载氮络合物
- / INDO-UHF方法
English
A Study on the Co(II) Schiff Base Complex with Carrying O2 and N2 Properties
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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Key words:
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Co(II) Schiff base complex
- / INDO-UHF program
- / Carrying O2 property
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