| 磷,砷,锑和铋原子nd轨道在原子簇中的成键作用 |
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| 引用本文： | 李明 邓传跃. 磷,砷,锑和铋原子nd轨道在原子簇中的成键作用[J]. 西南师范大学学报(自然科学版), 1992, 17(3): 326-331 |
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| 作者姓名： | 李明 邓传跃 |
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| 作者单位： | 西南师范大学化学系 重庆630715(李明)，西南师范大学化学系 重庆630715(邓传跃) |
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| 摘 要： | 对原子簇P_4,As_4,Sb_4,Sb_4~(2-)和Bi_4~(2-)中磷、砷、锑和铋原子的nd轨道参予成键作用进行了研究.通过对体系能量和在形成化学键的两原子间找到键子的几率的计算表明,磷、砷、锑和铋原子的nd轨道对这些原子簇中键的形成起着重要的作用.
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| 关 键 词： | nd轨道 成键作用 四核原子簇 |
THE ROLE OF THE nd ORBITALS OF THE P,As,Sb AND Bi ATOMS IN THE BOND FORMATION |
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| Li Ming Deng Chuanyue. THE ROLE OF THE nd ORBITALS OF THE P,As,Sb AND Bi ATOMS IN THE BOND FORMATION[J]. Journal of southwest china normal university(natural science edition), 1992, 17(3): 326-331 |
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| Authors: | Li Ming Deng Chuanyue |
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| Abstract: | The participation of the nd orbitals of P, As, Sb and Bi atoms in the bond fotmation in the four-atom clusters P4, As4, Sb4, Sb4-and Bi4-was investigated. It was indicated, by calculations on the probabilities for finding bonding electrons between two atoms forming a chemical bond and on energise of these systems, that the nd orbitals of the P,As,Sb and Bi atoms played an important role in the bond formation in the four-atom clusters. |
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| Keywords: | role of nd orbitals in the bond rormation fout-atom cluster probability for finding electrons between atoms EHMO method |
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