Electron Spin Resonance Spectra of Tert-Butyl Substituted Naphthalene Anion Radicals.
Technical rept. no. 6, 1 Jun 75-31 May 76,
ROCKWELL INTERNATIONAL THOUSAND OAKS CALIF SCIENCE CENTER
Pagination or Media Count:
The hyperfine splittings hfs of the ring protons and the g-factors of seven tert-butylnaphthalene anions were measured. The hfs data was utilized in a multiple linear least squares analysis in order to determine parameters for use in an additivity model. This gives satisfactory prediction of the ring proton hfs. Factors were similarly treated. The hfs additivity parameters were correlated against those determined for methyl substituents and were found to be only in moderate agreement, probably because of different structural changes induced by the substituent groups. The additivity parameters were also correlated against Huckell molecular orbital theory from which the best inductive parameter to represent the effect of the tert-butyl group was -0.07. The g-factors were also fit to the Huckel calculation, assuming that the substituent group only changed the energy of the pi-electron system. This gave a value of delta c -0.30. The discrepancy between both values of delta c probably arises from lower energy excited states which contribute to shifts of the g-factor from the free electron value.
- Atomic and Molecular Physics and Spectroscopy