Journal
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Volume 16, Issue 23, Pages 11590-11596Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/c4cp00706a
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Funding
- FAPESP [2010/18743-1, 2012/22143-5]
- CAPES
- Fundacao de Amparo a Pesquisa do Estado de Sao Paulo (FAPESP) [10/18743-1] Funding Source: FAPESP
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The nuclear electric quadrupole moment (NQM) of the Cu-63 nucleus was determined from an indirect approach by combining accurate experimental nuclear quadrupole coupling constants (NQCCs) with relativistic Dirac-Coulomb coupled cluster calculations of the electric field gradient (EFG). The data obtained at the highest level of calculation, DC-CCSD-T, from 14 linear molecules containing the copper atom give rise to an indicated NQM of -198(10) mbarn. Such result slightly deviates from the previously accepted standard value given by the muonic method, -220(15) mbarn, although the error bars are superimposed.
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