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Updated: Apr 30, 2026

Author Spotlight: Magnetometric Characterization of Intermediates in the Solid-State Electrochemistry of Redox-Active Metal-Organic Frameworks
Published on: June 9, 2023
The nuclear electric quadrupole moment of copper
Régis Tadeu Santiago1, Tiago Quevedo Teodoro, Roberto Luiz Andrade Haiduke
1Departamento de Química e Física Molecular, Instituto de Química de São Carlos, Universidade de São Paulo, Av. Trabalhador São-carlense, 400-CP 780, 13560-970-São Carlos, SP, Brazil. registsantiago@iqsc.usp.br tiagoquevedo@iqsc.usp.br haiduke@iqsc.usp.br.
Abstract:
The nuclear electric quadrupole moment (NQM) of the (63)Cu 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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