Determining nuclear quadrupole moments of Bi and Sb from molecular data

Abstract

An independent value of −422(3) millibarn (mb) is obtained for the nuclear quadrupole moment Q(²⁰⁹Bi) using experimental coupling constants for diatomic BiN, BiP, BiF, BiCl, and BiI, combined with full-Dirac CCSD-T calculations of the electric field gradient q. This value lies close to two other recently published molecular results, and a full-triplet CCSDT atomic result. Based on the same approach, we obtained Q(¹²¹Sb) = −541.7(0.8) mb and Q(¹²³Sb) = −690.6( 1.0) mb, in agreement with one recently published molecular result.