Molecular quadrupole moments, magnetizability, nuclear magnetic shielding and spin-rotation tensors of CO₂, OCS and CS₂

Abstract

Ab initio calculations have been made of molecular quadrupole moments, the diamagnetic part of the magnetizability and nuclear shielding tensors, and electric field gradients in CO₂, OCS and CS₂. By combining these calculated properties with experimental data, a full analysis of the magnetizability and nuclear magnetic shielding tensors has been obtained for these molecules.