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Free Molecule Studies by Perturbed γ−γ Angular Correlation: A New Path to Accurate Nuclear Quadrupole Moments

Heinz Haas1,2, Jens Röder1,2, Joao G. Correia3,2, J. Schell4,2, Abel S. Fenta1, Reiner Vianden5, Emil M. H. Larsen6, Patrick A. Aggelund6, Rasmus Fromsejer6 et al.

Lars B. S. Hemmingsen6, Stephan P. A. Sauer6, Doru C. Lupascu4, and Vitor S. Amaral1

  • 1Department of Physics and CICECO, University of Aveiro, 3810-193 Aveiro, Portugal
  • 2EP Division CERN, 1211 Geneve-23, Switzerland
  • 3C2TN, DECN, Instituto Superior Técnico, Universidade de Lisboa, Portugal
  • 4Institute for Materials Science and Center for Nanointegration, Duisburg-Essen (CENIDE), University of Duisburg-Essen, 45141 Essen, Germany
  • 5Helmholtz-Institut für Strahlen- und Kernphysik, Universität Bonn, Nussallee 14-16, Bonn, Germany
  • 6Department of Chemistry, University of Copenhagen, 2100 Copenhagen, Denmark

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Phys. Rev. Lett. 126, 103001 – Published 11 March, 2021

DOI: https://doi.org/10.1103/PhysRevLett.126.103001

Abstract

Accurate nuclear quadrupole moment values are essential as benchmarks for nuclear structure models and for the interpretation of experimentally determined nuclear quadrupole interactions in terms of electronic and molecular structure. Here, we present a novel route to such data by combining perturbed γ−γ angular correlation measurements on free small linear molecules, realized for the first time within this work, with state-of-the-art ab initio electronic structure calculations of the electric field gradient at the probe site. This approach, also feasible for a series of other cases, is applied to Hg and Cd halides, resulting in Q(Hg199,5/2−)=+0.674(17)  b and Q(Cd111,5/2+)=+0.664(7)  b.

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Phys. Rev. Lett. 126, 103001– Published 11 March, 2021
  • Received 12 December 2020
  • Revised 22 January 2021
  • Accepted 26 January 2021
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Published by the American Physical Society under the terms of the Creative Commons Attribution 4.0 International license. Further distribution of this work must maintain attribution to the author(s) and the published article’s title, journal citation, and DOI.

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