Chemical Research in Chinese Universities ›› 1996, Vol. 12 ›› Issue (2): 151-158.

• Articles • Previous Articles     Next Articles

INDO Studies on Electronic Structures of(C8H8)Ln(2, 4-C4H11)(THF)(Ln=Nd, Sm, Er)

WANG Zhi-zhong, FENG Jian-nan, ZHANG So-bo, LIU Ju-Zheng   

  1. Institute of Theoretical Chemistry and Department of Chenti.ctry Jilin University, Chartgchun, 130023
  • Received:1995-07-27 Online:1996-04-24 Published:2011-08-17

Abstract: INDO SCF calculations on the complexes of (C8H8)Ln(2, 4-C4H11)(THF) (Ln=Nd, Sm .Er) indicate that although the f-electrons are essentially localized onthe metal, 5d orbitals of the metal interact which plays a major role in the bonding.Furthermore, we have dISCLISSed the moiecular geometries.

Key words: INDO, Electro nic structure, Rare earth compound