The nuclear quadrupole moment of 115In from molecular data

Abstract

The nuclear quadrupole moment of 115In has been determined by combining the experimental nuclear quadrupole coupling constants and electric field gradients, calculated at the four-component CCSD(T) level of theory, of four indium halides. Our recommended value for the nuclear quadrupole moment of 115In is 770(8) millibarn. A basis set study at the Dirac–Hartree–Fock level shows a slow convergence of the electric field gradient with respect to higher angular momentum functions.