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Citation: Li Le-Min. The Electronic Structure of [Nd(SSCNH₂)₄]^- A Model Anion of an Organosulphur-Coordinated Lanthanide Compled[J]. Acta Physico-Chimica Sinica, ;1992, 8(01): 10-17. doi: 10.3866/PKU.WHXB19920104 shu

The Electronic Structure of [Nd(SSCNH₂)₄]^- A Model Anion of an Organosulphur-Coordinated Lanthanide Compled

Li Le-Min

1.
Department of Chemistry, Peking University, Beijing 100871

Received Date: 9 August 1990
Available Online: 15 February 1992

The electronic structure and chemical bonding of [Nd(SSCNH_2)_4]~-, a simplified model of complex anion {Nd[SSCN(C_2H_5)_2]_4}~-, have been studied in detail. In view of the contribution to the binding energy, it may be inferred that the binding between Nd and S atoms is mainly ionic in character, but the covalent binding must be con-sidered contributing to the bond formation to a certain extent, taking account of the charge redistribution. For the Nd-S and Nd-S′ bonds, the sigma-bonding plays the main role, the bond order of the pi bonds is only 1/5 to 1/6 of that of the sigma bonds. The reason why only a very few of organosulfur-coordinated lanthanide compounds have been synthesized while there exist a great number of stable inorganic composite sulfides of lanthanides has been analyzed based on the calculation results. Several possible approaches have been suggested to synthesize stable organosulfur-coordinated lanthanide compounds.
- Organosulfur-coordinated lanthanide complexes; Electronic structure; Chemical bonding
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The Electronic Structure of [Nd(SSCNH2)4]- A Model Anion of an Organosulphur-Coordinated Lanthanide Compled

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通讯作者: 陈斌, bchen63@163.com

The Electronic Structure of [Nd(SSCNH₂)₄]^- A Model Anion of an Organosulphur-Coordinated Lanthanide Compled