Determining nuclear quadrupole moments of Bi and Sb from molecular data
Jean‐Pierre Dognon, Pekka Pyykkö
Abstract
An independent value of −422(3) millibarn (mb) is obtained for the nuclear quadrupole moment Q ( 209 Bi) using experimental coupling constants for diatomic BiN, BiP, BiF, BiCl, and BiI, combined with full-Dirac CCSD-T calculations of the field gradient q .
Topics & Concepts
QuadrupoleCoupling constantDiatomic moleculeChemistryField (mathematics)Electric field gradientMoment (physics)BinCoupling (piping)Computational chemistryAtomic physicsPhysicsMaterials scienceMoleculeQuantum mechanicsMathematicsAlgorithmOrganic chemistryMetallurgyPure mathematicsAdvanced Chemical Physics StudiesAdvanced NMR Techniques and ApplicationsInorganic Fluorides and Related Compounds