Semi-empirical molecular orbital calculations on acidic hydrocarbons
- 1 January 1969
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in J. Chem. Soc. A
- p. 1513-1516
- https://doi.org/10.1039/j19690001513
Abstract
The pKa values of 20 acidic hydrocarbons are satisfactorily described by the (π+σ) electronic energy change. The conventional π-energy change has been shown to be less reliable. The importance of other contributing factors is discussed.Keywords
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