Electronic spectrum of the NpO22+ and NpO2+ ions

被引:82
作者
Matsika, S [1 ]
Pitzer, RM [1 ]
机构
[1] Ohio State Univ, Dept Chem, Columbus, OH 43210 USA
关键词
D O I
10.1021/jp993767q
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
The ground and excited states of the linear NpO22+ and NpO2+ ions have been calculated using relativistic spin-orbit configuration interaction methods based on effective core potentials. The f --> f transitions and some charge-transfer transitions have been calculated for both ions and compared with experiment wherever possible. Various types of analysis are used to gain a better understanding of the types and patterns of electronic states.
引用
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页码:4064 / 4068
页数:5
相关论文
共 42 条
[1]  
*AM CHEM SOC, 1999, 217 ACS NAT M AN CA
[2]   RAMAN-SCATTERING OF URANYL AND TRANSURANIUM V, VI, AND VII IONS [J].
BASILE, LJ ;
SULLIVAN, JC ;
FERRARO, JR ;
LABONVILLE, P .
APPLIED SPECTROSCOPY, 1974, 28 (02) :142-145
[3]  
Blaudeau JP, 2000, INT J QUANTUM CHEM, V77, P516, DOI 10.1002/(SICI)1097-461X(2000)77:2<516::AID-QUA2>3.0.CO
[4]  
2-U
[5]  
BLEANEY B, 1954, PHILOS MAG, V45, P992
[6]  
BLEANEY B, 1955, DISCUSS FARADAY SOC, P112
[7]  
CHRISTIANSEN PA, 1985, ANNU REV PHYS CHEM, V36, P407, DOI 10.1146/annurev.pc.36.100185.002203
[8]   EXAFS studies of pentavalent neptunium carbonate complexes. Structural elucidation of the principal constituents of neptunium in groundwater environments [J].
Clark, DL ;
Conradson, SD ;
Ekberg, SA ;
Hess, NJ ;
Neu, MP ;
Palmer, PD ;
Runde, W ;
Tait, CD .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1996, 118 (08) :2089-2090
[9]   ACTINIDE CARBONATE COMPLEXES AND THEIR IMPORTANCE IN ACTINIDE ENVIRONMENTAL CHEMISTRY [J].
CLARK, DL ;
HOBART, DE ;
NEU, MP .
CHEMICAL REVIEWS, 1995, 95 (01) :25-48
[10]  
CLARK DL, 1999, 217 ACS NAT M AN CA