Author(s)
|
Haas, Heinz (CERN ; U. Aveiro (main)) ; Röder, Jens (CERN ; U. Aveiro (main)) ; Correia, Joao G (CERN ; IST, Lisbon (main)) ; Schell, J (CERN ; U. Duisburg-Essen) ; Fenta, Abel S (U. Aveiro (main)) ; Vianden, Reiner (Bonn U., HISKP) ; Larsen, Emil M H (U. Copenhagen (main)) ; Aggelund, Patrick A (U. Copenhagen (main)) ; Fromsejer, Rasmus (U. Copenhagen (main)) ; Hemmingsen, Lars B S (U. Copenhagen (main)) ; Sauer, Stephan P A (U. Copenhagen (main)) ; Lupascu, Doru C (U. Duisburg-Essen) ; Amaral, Vitor S (U. Aveiro (main)) |
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 $Q(^{199}\mathrm{Hg}, 5/2^−) = +0.674(17)b$ and $Q(^{111} \mathrm{Cd}, 5/2^+) = +0.664(7) b$. |