ABSTRACT
We have calculated electric multipole moments and dipole polarizabilities for the boron and aluminum trihalides MX3 (M= B, Al; X= F, Cl, Br, I). The electric properties were obtained from self-consistent field and second-order Møller-Plesset perturbation theory calculations with especially designed Gaussian-type basis sets. Our investigation brings forth interesting patterns for the evolution of electric properties in these molecules. Our results for BI3 support the recent experimental estimates for the mean and the anisotropy of the dipole polarizability proposed by Keir and Ritchie [Chem. Phys. Lett. 290, 409 (1998)].
