Acta Chimica Sinica ›› 2001, Vol. 59 ›› Issue (9): 1376-1379. Previous Articles     Next Articles

Original Articles

RuX^2+(X=O, H,N, C)分子离子的势能函数与稳定性

李权;王红艳;蒋刚;朱正和   

  1. 四川师范大学化学系.成都(610066);四川大学原子与分子物理所
  • 发布日期:2001-09-15

Potential energy function and stability of RuX^2+ (X=O, H,N, C)

Li Quan;Wang Hongyan;Jiang Gang;Zhu Zhenghe   

  1. Sichuan Normal Univ, Dept Chem Eng.Chengdu(610066)
  • Published:2001-09-15

The results of the theoretical study on RuX^2+(X=O, H, N, C) using density functional method (B3LYP) show that PuO^2+, PuH^2+, PuN^2+ and PuC^2+ can be stable. Ground electronic states are X5^Σ^- (PuO^2+), X8^Σ^-(PuH^2+),X4^Σ^+(PuN^2+) and X9^Σ^-(PuC^2+), and their potential energy functions are in good agreement with the Murrell-Sorbie function, and their force constants and spectroscopic data have been worked out.

Key words: MOLECULAR ION, POTENTIAL ENERGY FUNCTIONS, STABILITY, MECHANICAL PROPETIES

CLC Number: