Abstract
A valence bond treatment is applied to a diatomic model involving a σ-bond between an outer sulphur orbital ϕ = 3 d, 4 s and a fluorine sp-hybrid. Interatomic exchange terms are included and the results discussed from the point of view of excited orbitals size and of hybridization in fluorine. In the case of 4 s orbitals it is concluded that the electrostatic approach is fully adequate to discuss orbital size and energy. When states involving d c-orbitals are concerned interatomic exchange terms with fluorine 2 s orbital are very important, while those with 1 s orbital are not of great relevance. For a reasonable amount of sp hybridization in fluorine the size of the d-function is strongly reduced from the free atom value.
Published Version
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a call