Abstract
Ab initio LCAO MO SCF calculations with DZ + 3d(S) basis functions show that the sulphur trifluoride radical is a planar π-radical having a 2B 1 ground state. Like ClF 3, it has an umbrella-structure. However, it becomes Y-shaped in its first 2A 1 excited state which has been calculated to lie only ≈ 2.4 eV above the 2B 1 ground state.
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