Antisymmetrized Hückel Orbital Calculations of Ionization Potentials and Electron Affinities of Some Aromatic Hydrocarbons
- 1 May 1958
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 28 (5), 950-953
- https://doi.org/10.1063/1.1744302
Abstract
Antisymmetrized Hückel orbital calculations of the ionization energy and the electron affinity have been made for twenty‐three condensed‐ring aromatic molecules. In these calculations differential overlap has been neglected. The calculated ionization energies together with the polariographic reduction potentials permit the estimation of solvation energies of molecular ions.Keywords
This publication has 12 references indexed in Scilit:
- Theory of the Electronic Spectra and Structure of the Polyacenes and of Alternant HydrocarbonsThe Journal of Chemical Physics, 1956
- Reduction potentials of various aromatic hydrocarbons and their univalent anionsRecueil des Travaux Chimiques des Pays-Bas, 1956
- Electron Interaction in Hydrocarbon Multiple IonsThe Journal of Chemical Physics, 1955
- Ionization potentials and electron affinities of conjugated hydrocarbon molecules and radicalsTransactions of the Faraday Society, 1955
- The polarographic reduction of conjugated hydrocarbons: VI. Comparison of Hückel's and Wheland's m.o. approximation with experimental half‐wave potentials of various alternant and non‐alternant hydrocarbonsRecueil des Travaux Chimiques des Pays-Bas, 1955
- A Semi-Empirical Theory of the Electronic Spectra and Electronic Structure of Complex Unsaturated Molecules. I.The Journal of Chemical Physics, 1953
- Electron interaction in unsaturated hydrocarbonsTransactions of the Faraday Society, 1953
- Electron Affinities of Some Aromatic MoleculesNature, 1950
- Reduction Potentials of Conjugated SystemsNature, 1949
- The Far Ultraviolet Absorption Spectra and Ionization Potentials of C6H6 and C6D6The Journal of Chemical Physics, 1935