The inductive effect in the anilinium ion
- 1 March 1963
- journal article
- research article
- Published by Taylor & Francis in Molecular Physics
- Vol. 6 (2) , 139-151
- https://doi.org/10.1080/00268976300100151
Abstract
The perturbation by the ammonio group -NH3 + is represented by an electrostatic potential with a short-range repulsion added to the coulomb attraction. The apparent conflict between the lack of influence by -NH3 + on the spectrum of benzene and the large effect on its reactivity is reconciled under reasonable assumptions concerning the potential, the effective dielectric constant in the molecule and the transition moments of benzene transitions. The method of calculation is novel, in that it is not based in principle on explicit forms of molecular wave functions; in practice however explicit wave functions have been used to evaluate certain transition moments required as starting data.Keywords
This publication has 5 references indexed in Scilit:
- 402. Spectra of arylammonium ionsJournal of the Chemical Society, 1959
- The self-consistent field with exchange for some 10 and 12 electron systemsMathematical Proceedings of the Cambridge Philosophical Society, 1957
- 839. Colour and constitution. Part III. The effect of methyl substitution on the α- and β-bands of the ultraviolet spectrum of alternant hydrocarbonsJournal of the Chemical Society, 1957
- A note on the theory of aromatic substitutionRecueil des Travaux Chimiques des Pays-Bas, 1956
- Molecular Orbital Theory and Spectra of Monosubstituted Benzenes. I. The Resonance Effect1Journal of the American Chemical Society, 1950