University Chemistry ›› 2016, Vol. 31 ›› Issue (9): 87-90.doi: 10.3866/PKU.DXHX201601011

• Self Studies • Previous Articles     Next Articles

Discussion on the Relativistic Effects on Structures of AH2 (A=Be, Mg, Ca, Sr, Ba) Compounds

Ting-Ting LI,Bing XU,Wen-Jie YU,Xue-Feng WANG*()   

  • Published:2016-09-30
  • Contact: Xue-Feng WANG E-mail:xfwang@tongji.edu.cn
  • Supported by:
    国家自然科学基金项目(21371136)

Abstract:

We report here the relativistic effects on molecular configuration. The most stable states of group IIAmetal hydride were calculated by density functional calculation and we discussed the relationship between the AH2 molecule structure and the NBO data of A―H bond. The application of the relativistic effects in hybrid orbital was concluded and some advice was given about chemical education in college.

Key words: University chemistry, Relativistic effects, Hybrid orbital, Group IIA metal hydride

MSC2000: 

  • O611.2