Acta Phys. -Chim. Sin. ›› 1996, Vol. 12 ›› Issue (08): 684-687.doi: 10.3866/PKU.WHXB19960803

• ARTICLE • Previous Articles     Next Articles

Ab initio of 1,2-diseleno-3,4-dithiosquaric Acid

Zhou Li-Xin,Tian An-Min,Yan Guo-Sen   

  1. Department of Chemsitry,Sichuan University,Chengdu 610064
  • Received:1995-12-12 Revised:1996-03-25 Published:1996-08-15
  • Contact: Tian An-Min

Abstract:

 Results of ab initio SCF calculations for 1,2-diseleno-3,4-dithiosquaric acid are reported. The ZZ isomer is predicted to be the most stable among the three planar isomers studied. Vibrational frequencies have also been calculated for the three isomers.

Key words: 1,2-diseleno-3,4-dithiosquaric acid, Ab initio, Vibrational frequency