José Paulo Santos
Professor Catedrático do Departamento de Física da FCT/UNL
DF - FCT NOVA, Quinta da Torre, 2829 -516 MONTE DA CAPARICA , PORTUGAL (email)
Nuclear spin–spin constants, rotational g factor and susceptibility of sulphur hexafluoride
- Citation:
- Palma, M. L., and J. P. Santos. "Nuclear spin–spin constants, rotational g factor and susceptibility of sulphur hexafluoride." Mol. Phys. 110 (2012): 2163.
Abstract:
Following our previous study on spin–rotation and shielding constants of the SF6 molecule, the rotational g factor and the magnetic susceptibility are calculated here, using ab initio methods to evaluate the electronic contribution to the nuclear hyperfine constants, and compared with experimental results. It is shown, for the first time, that the electronic component of the rotational g factor is proportional to a constant, which is given by a sum over electronic states. We also evaluate for the SF6 molecule the indirect, or electron-coupled spin–spin interaction, theoretically described by Ramsey, and show that it gives non-negligible corrections to direct coupling constants d1 and d2. The contributions of the terms included in this interaction (DSO, PSO, SD and FC) are also analysed.
Notes:
doi: 10.1080/00268976.2012.668224
JPS-Ref57