The anisotropy of the g -factor for polycyclic hydrocarbons
- 10 March 1964
- journal article
- Published by The Royal Society in Proceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences
- Vol. 278 (1372) , 129-136
- https://doi.org/10.1098/rspa.1964.0050
Abstract
An external magnetic field acting on a polycyclic hydrocarbon induces ring currents of mobile electrons in its various rings. This effect can be observed in a diamagnetic molecule by means of the large anisotropies of diamagnetic susceptibility and chemical shift which are produced. For paramagnetic species these observations are no longer available and it is suggested that the anisotropy of the electronic g -factor should be used instead. This arises because the secondary magnetic field of the ring currents helps to orient the electron spins. In the Hamiltonian it is the spin-other-orbit term which produces this interaction. The magnitude of this term is calculated for various species using the unrestricted molecular orbital theory in its self-consistent form and A g zz is of the order 3 x 10 -5.Keywords
This publication has 4 references indexed in Scilit:
- Calculations on the ions and lowest π triplet states of some conjugated hydrocarbonsMolecular Physics, 1962
- Single determinant wave functionsProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1961
- 181. Studies of aromaticity by nuclear magnetic resonance spectroscopy. Part I. 2-Pyridones and related systemsJournal of the Chemical Society, 1961
- Quantum Mechanics of One- and Two-Electron AtomsPublished by Springer Nature ,1957