The nuclear electric quadrupole moment of copper

Régis Tadeu Santiago; Tiago Quevedo Teodoro; Roberto Luiz Andrade Haiduke

doi:10.1039/C4CP00706A

The nuclear electric quadrupole moment of copper

Régis Tadeu Santiago,^a Tiago Quevedo Teodoro^a and Roberto Luiz Andrade Haiduke*^a

* Corresponding authors

^a Departamento 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, Brazil
E-mail: registsantiago@iqsc.usp.br, tiagoquevedo@iqsc.usp.br, haiduke@iqsc.usp.br
Fax: +55-16-3373-9975
Tel: +55-16-3373-8280

Abstract

The nuclear electric quadrupole moment (NQM) of the ⁶³Cu 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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Publication details

The article was received on 17 Feb 2014, accepted on 14 Mar 2014 and first published on 17 Mar 2014

Article type: Paper

DOI: 10.1039/C4CP00706A

Author version available: Download Author version (PDF)

Citation: Phys. Chem. Chem. Phys., 2014,16, 11590-11596

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The nuclear electric quadrupole moment of copper

R. T. Santiago, T. Q. Teodoro and R. L. A. Haiduke, Phys. Chem. Chem. Phys., 2014, 16, 11590
DOI: 10.1039/C4CP00706A
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Physical Chemistry Chemical Physics

The nuclear electric quadrupole moment of copper

Abstract

Supplementary files

Publication details

The nuclear electric quadrupole moment of copper

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