The inductive effect in π-electron systems
- 1 January 1967
- journal article
- research article
- Published by Taylor & Francis in Molecular Physics
- Vol. 12 (1) , 41-48
- https://doi.org/10.1080/00268976700100051
Abstract
The shift of n-π* bands of some azines on chloro substitution is examined assuming that the chloro substituent has only inductive character. This inductive character consists of both σ and π-electron interactions; the σ effect is approximated by the theory of Pople and Santry [7], whilst the π effect is assumed to have both short and long-range characteristics in the perturbing potential [1]. The calculations lead us to the conclusion that the approximations made in the estimation of σ effects are almost certainly responsible for the poor agreement observed between theory and experiment.Keywords
This publication has 5 references indexed in Scilit:
- Short and long range contributions to the inductive effect in π electron systemsProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1966
- A molecular orbital theory of hydrocarbonsMolecular Physics, 1964
- 92. The electronic spectra of N-heteroaromatic systems. Part IX. n→π-Transitions of polycyclic azinesJournal of the Chemical Society, 1962
- 811. Cinnolines. Part XXXV. Studies of the chloro- and hydroxy-cinnolinesJournal of the Chemical Society, 1956
- n–π Transitions in azinesJournal of the Chemical Society, 1955