Potential energy function for PuO2+, PuH2+ and PuN2+ ions

作者：Li, Q^*; Zhu, ZG; Wang, HG; Jiang, G

来源：Journal of Molecular Structure (Theochem), 2002, 578: 177-180.

DOI：10.1016/S0166-1280(01)00700-X

• molecular ions
• potential energy function
• structure

The theoretical study on PuO2+, PuH2+ and PuN2+ using density functional method shows that these molecular ions are stable. Ground electronic states are X(5)Sigma(-) for PuO2+, X(8)Sigma(-) for PuH2 + and X(4)Sigma(+) for PuN2+, their analytic potential energy functions are in well agreement with the Murrell-Sorbie function, and their force constants and spectroscopic data have been worked out for the first time.

• 出版日期2002-2-14
• 单位四川师范大学