Potential energy function and stability of PuX2+ (X = O, H, N, C)

Citation
Q. Li et al., Potential energy function and stability of PuX2+ (X = O, H, N, C), ACT CHIM S, 59(9), 2001, pp. 1376-1379
Citations number
10
Language
CHINESE
art.tipo
Article
Categorie Soggetti
Chemistry
Journal title
ACTA CHIMICA SINICA
ISSN journal
0567-7351 → ACNP
Volume
59
Issue
9
Year of publication
2001
Pages
1376 - 1379
Database
ISI
SICI code
0567-7351(2001)59:9<1376:PEFASO>2.0.ZU;2-V
Abstract
The results of the theoretical study on PuX2+ (X = O, H, N, C) using densit y functional method (B3LYP) show that PuO2+ PuH2+, PuN2+ and PuC2+ can be s table. Ground electronic states are X(5)Sigma (-)(PuO2+), X(8)Sigma (-) (Pu H2+) X(4)Sigma (+) (PuN2+) and X(9)Sigma (-) (PuC2+), and their potential e nergy functions are in good agreement with the Murrell - Sorbie function, a nd their force constants and spectroscopic data have been worked out.