A Molecular Orbital Theory of Saturated Compounds. I. Ionization Potential and Bond Dissociation Energy
Authors:
- 1 September 1960
- journal article
- Published by Oxford University Press (OUP) in Bulletin of the Chemical Society of Japan
- Vol. 33 (9) , 1197-1200
Abstract
The ionization potential and the bond dissociation energy of saturated compounds are calculated by Yoshizumi’s C–C bond skeleton method. With regard to ionization potentials, the calculated results are parallel to the observed values. In particular, for normal paraffins the parallelism is almost complete. For total electronic energies, the calculated results indicate a simple additivity rule in normal and cycloparaffins, and for bond dissociation energies an approximate agreement is obtained between the calculated and the observed values. In spite of the rough approximation involved in the present treatment, it may be said that the results obtained are rather satisfactory.Keywords
This publication has 8 references indexed in Scilit:
- Studies of the ionization of molecules by electron impact - II. Excited states of the molecular ions of methane and the methyl halidesProceedings of the Royal Society of London. A. Mathematical and Physical Sciences, 1957
- Charge displacement in substituted paraffinsTransactions of the Faraday Society, 1957
- The Ionization Potentials of Aliphatic AlcoholsBulletin of the Chemical Society of Japan, 1955
- Calculation of Ionization PotentialsThe Journal of Chemical Physics, 1954
- Calculations on the ionization potentials of some substituted ethylenesTransactions of the Faraday Society, 1953
- The molecular orbital theory of chemical valency. X. A method of calculating the ionization potentials of conjugated moleculesProceedings of the Royal Society of London. A. Mathematical and Physical Sciences, 1952
- Formulas and Numerical Tables for Overlap IntegralsThe Journal of Chemical Physics, 1949
- Ionization Potentials of Some Hydrocarbon SeriesThe Journal of Chemical Physics, 1948