A theoretical study of the energy of hypofluorous acid, HOF
- 1 March 1989
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 90 (5) , 2833
- https://doi.org/10.1063/1.455934
Abstract
An ab initio molecular orbital study of the dissociation energy of HOF based on the newly developed G1 method is presented. The results indicate that the value of ΔH○f0 of gaseous HOF derived by Berkowitz, Appelman, and Chupka should be reexamined and that the best experimentally derived value of ΔH○f0 of HOF is −19.9 kcal/mol, corresponding to a dissociation energy D0(HO–F) of 47.5 kcal/mol.Keywords
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