
%0 Journal Article
%A Maclaga, n 
%T A Valence-Bond Study of the Role of 3d Orbitals in the Bonding in ClF<sub>3</sub>
%J Australian Journal of Chemistry
%D 1988/04/01
%V 41
%N 4
%P 527-533
%K 
%R https://doi.org/10.1071/CH9880527
%U https://www.publish.csiro.au/paper/CH9880527 
%X Minimal basis set valence-bond calculations on ClF3, with, and without, the use of chlorine 3d orbitals are described. The most important structure is a spin-paired diradical structure. The covalent structure with three covalent Cl -F covalent bonds has a sufficiently low importance that 3d orbitals are not essential for describing the bonding in ClF3. Chlorine 3d orbitals do have a significant contribution to the calculated energy. 
