Spin-rotation and nuclear shielding constants of sulfur hexafluoride

Citation:
Palma, M. L., and J. P. Santos. "Spin-rotation and nuclear shielding constants of sulfur hexafluoride." Molecular Physics 106 (2008): 1241-1247.

Abstract:

We present a first theoretical determination of the hyperfine coupling constants of a spherical top molecule using ab initio methods. The scalar and tensorial contributions to the spin-rotation constants and the diamagnetic and paramagnetic contributions to the nuclear shielding constant are calculated for the 32SF6 molecule. The corrections to the spin-rotation constants due to nuclear Thomas precession are evaluated and discussed. Our results are compared with previously reported experimental values.

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