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

Sejun Park; Robert G. Surbella; Sergey I. Sinkov; Adam B. Philips; Jochen Autschbach; Herman Cho

doi:10.1016/j.chemphys.2023.112094

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

Sejun Park
, Robert G. Surbella
, Sergey I. Sinkov
, Adam B. Philips
, Jochen Autschbach
, Herman Cho

Chemistry

Pacific Northwest National Laboratory
SUNY Buffalo

Research output: Contribution to journal › Article › peer-review

2 Scopus citations

Abstract

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 ⁸⁵Rb and ⁸⁷Rb 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 ⁸⁵Rb and ⁸⁷Rb has also been obtained.

Original language	English
Article number	112094
Journal	Chemical Physics
Volume	576
DOIs	https://doi.org/10.1016/j.chemphys.2023.112094
State	Published - Jan 1 2024

Keywords

Actinyl electronic structure
Electric field gradient
Rubidium isotope nuclear quadrupole moments

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10.1016/j.chemphys.2023.112094

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

abstract = "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 85Rb and 87Rb 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 85Rb and 87Rb has also been obtained.",

keywords = "Actinyl electronic structure, Electric field gradient, Rubidium isotope nuclear quadrupole moments",

author = "Sejun Park and Surbella, \{Robert G.\} and Sinkov, \{Sergey I.\} and Philips, \{Adam B.\} and Jochen Autschbach and Herman Cho",

note = "Publisher Copyright: {\textcopyright} 2023",

year = "2024",

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doi = "10.1016/j.chemphys.2023.112094",

language = "English",

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T1 - Electric field gradients at rubidium sites in rubidium uranyl nitrate and quadrupole moments of 85Rb and 87Rb

AU - Park, Sejun

AU - Surbella, Robert G.

AU - Sinkov, Sergey I.

AU - Philips, Adam B.

AU - Autschbach, Jochen

AU - Cho, Herman

PY - 2024/1/1

Y1 - 2024/1/1

N2 - 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 85Rb and 87Rb 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 85Rb and 87Rb has also been obtained.

AB - 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 85Rb and 87Rb 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 85Rb and 87Rb has also been obtained.

KW - Actinyl electronic structure

KW - Electric field gradient

KW - Rubidium isotope nuclear quadrupole moments

UR - https://www.scopus.com/pages/publications/85173648914

U2 - 10.1016/j.chemphys.2023.112094

DO - 10.1016/j.chemphys.2023.112094

M3 - Article

AN - SCOPUS:85173648914

SN - 0301-0104

VL - 576

JO - Chemical Physics

JF - Chemical Physics

M1 - 112094

ER -

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

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Keywords

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