Chemical Research in Chinese Universities ›› 1998, Vol. 14 ›› Issue (1): 59-64.

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INDO Studies on the Electronic Structure of (2, 4-C7H11)2Yb(DME)

FENG Jian-nan, WANG Zhi-thong, ZHANG So-bo, LIU Ju-zheng   

  1. Institute of Theoretical Chemistry and Department of Chemistry,, lilin University, Changchun 13023
  • Received:1996-10-21 Online:1998-01-24 Published:2011-08-17
  • Supported by:

    Supported by the National Natural Science Foundation of China and Changchun Scientific Center of Applied Chemistry.

Abstract: The electronic structure of (2, 4-C7H11)2 Yb(DME) (DME=CH3OCH2CH2OCH3) was studied by means of the semiempirical LCAO calculation of INDO. The calculational results show that the f-electrons do not directly participate in forming chemical bonds. The 5d-electrons of metal ytter-bium play a major role. Furthermore, we have investigated the molecular geometries and ytter-bium-ligand orbital character.

Key words: Semiempirical LCAO calculation, Electronic structure, INDO