Electric field gradients at rubidium sites in rubidium uranyl nitrate and quadrupole moments of 85Rb and 87Rb

被引:0
|
作者
Park, Sejun [1 ]
Surbella, Robert G., III [2 ]
Sinkov, Sergey I. [3 ]
Philips, Adam B. [4 ]
Autschbach, Jochen [4 ]
Cho, Herman [1 ]
机构
[1] Pacific Northwest Natl Lab, Phys & Computat Sci Directorate, Richland, WA 99354 USA
[2] Pacific Northwest Natl Lab, Natl Secur Directorate, Richland, WA 99354 USA
[3] Pacific Northwest Natl Lab, Energy & Environm Directorate, Richland, WA 99354 USA
[4] SUNY Buffalo, Dept Chem, Buffalo, NY 14260 USA
关键词
Actinyl electronic structure; Electric field gradient; Rubidium isotope nuclear quadrupole moments; NUCLEAR-MAGNETIC-RESONANCE; SOLID-STATE; SPIN-ORBIT; MOSSBAUER; APPROXIMATION; NMR;
D O I
10.1016/j.chemphys.2023.112094
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 electronic structure along the axial direction of the uranyl ion in rubidium uranyl nitrate (RbUO2(NO3)(3)) has been probed by nuclear quadrupole resonance and nuclear magnetic resonance measurements of Rb-85 and Rb-87 quadrupole couplings. The parameter of interest in these experiments is the electric field gradient at the Rb sites, which may be compared with values computed by various theoretical approaches. From this analysis a refinement of the ratio of the quadrupole moments of Rb-85 and Rb-87 has also been obtained.
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页数:6
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