Acta Phys. -Chim. Sin. ›› 2000, Vol. 16 ›› Issue (11): 987-991.doi: 10.3866/PKU.WHXB20001106

• ARTICLE • Previous Articles     Next Articles

Potentional Energy Function and Stability of PuOn+

Li Quan, Liu Xiao-Ya, Gao Tao, Zhu Zheng-He, Fu Yi-Bei, Wang Xiao-Lin, Sun Ying   

  1. Institute of Atomic and Molecular Physics,Sichuan University,Chengdu 610065|Department of Chemistry,Sichuan Normal University,Chengdu 610066|Southwestern Institute of Nuclear Physics and Chemistry,Chengdu 610003
  • Received:2000-02-22 Revised:2000-05-15 Published:2000-11-15
  • Contact: Li Quan

Abstract:

Theoretical study on PuOn+(n=1,2,3) using density function theory shows that PuO+ and PuO2+ are stable and PuO3+ unstable.Electronic states are Χ6Σ-(PuO+)、Χ5Σ-(PuO2+)、9Σ-(PuO2+) and 7Σ-(PuO2+),and their force constants and spectroscopin data have been obtained.

Key words: PuOn+, Molecular ions, Potentional energy function, Stability, Density function theory(DFT)