Issue 0, 1969

Semi-empirical molecular orbital calculations on acidic hydrocarbons

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.

Article information

Article type
Paper

J. Chem. Soc. A, 1969, 1513-1516

Semi-empirical molecular orbital calculations on acidic hydrocarbons

D. H. Lo and M. A. Whitehead, J. Chem. Soc. A, 1969, 1513 DOI: 10.1039/J19690001513

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