| 二—(2,2'—联吡啶)—三—(硝酸)合镧(Ⅲ)La(C10H8N2)2(NO3)3的电子结构和化学键 |
| ELECTRONIC STRUCTURE AND CHEMICAL BONDS OF BIS(BIPYRIDYL)-TRI(NITRATE)-LANTHANUM (Ⅲ) La(C10H8N2)2(NO3) |
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| 摘要: 希土化合物由于涉及f轨道,用分子轨道方法有一定困难,前人曾采用过多种处理方法。 |
| 关键词: INDO La配合物 化学键 |
| 基金项目: 国家自然科学基金 |
| Abstract: The bis(bipyridyl)-tri(nitrate) lanthanum(Ⅲ) [La(C10H8N2)2(NO3)3] has been studied by INDO semi-empirical molecular orbital method in the paper. The composition and bonding character of each occupied molecular orbital has been discussed. The coordination of two bipyridine to lanthanum reduces the positive charge on the lanthanum ion, increasing the covalence of the bonds. So that the lanthanum complex is more stable. The covalcnt composition is about 52% in La-O bonds. The coordination ability of bipyridine is a little stronger than that of nitrates in the complex. The electronic configuration of La is (6s)0.363 (6p)0.596 (5d)1.721 (4f)0.003. The bonding between lanthanum and oxygen or nitrogen is mainly due to the participation of La(5d) orbitals, and to a less extent, due to that of La(6p) and La(6s) orbitals. The La(4f) orbitals do not participate in the covalent bonding at all. |
| Keywords: INDO La-complex compound chemical bond |
| 投稿时间：1988-09-17 |
| 摘要点击次数: 1192 |
| 全文下载次数: 1233 |
| 项志清,吴念慈,董南.二—(2,2'—联吡啶)—三—(硝酸)合镧(Ⅲ)La(C10H8N2)2(NO3)3的电子结构和化学键[J].无机化学学报,1990,6(4):464-467. |
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