Acta Chimica Sinica ›› 1991, Vol. 49 ›› Issue (4): 313-318.     Next Articles

Original Articles

聚苯硫醚中硫原子3d轨道参与成键作用的研究

王荣顺;肖景坤;张景萍;赵成大   

  1. 东北师范大学化学系.长春(130024)
  • 发布日期:1991-04-15

The study on the participation of 3d orbit of sulfur atom in the bond formation in the PPS

Wang Rongshun;Xiao Jingkun;Zhang Jingping;Zhao Chengda   

  1. NE Normal Univ, Dept Chem.Changchun(130024)
  • Published:1991-04-15

Various properties of poly(p-phenylene sulfide) (PPS) before and after doping were calculated by EHMO/CO method, incuding the 3d orbit of sulfur atom in the calculation. It was concluded that 3d orbit played an important role in bond formation.

Key words: ORBITS, POLYPHENYLENE SULFIDE(PPS), CHARGE DISTRIBUTION, DOPE, COMPUTATIONAL METHOD

CLC Number: