Electron spin resonance study of the radical anions of substituted cyclooctatetraenes: the effects of Jahn--Teller distortions and vibronic mixing
- Swarthmore College, PA
The radical anions of methyl-, methoxy-, fluoro-, cyclopropyl-, and cyanocyclooctatetraene were generated by electrolytic reduction of the neutral compounds in liquid ammonia. The electron spin resonance spectrum of each radical anion is assigned, and a clean even--odd alternation of the spin densities is observed in each. This alternation can be correlated with the electronic properties of the substituent. For the radical anions of methyl-, methoxy-, and cyclopropylcyclooctatetraene, the temperature dependence of the coupling constants is reported. The results are accounted for in terms of vibronic mixing and Jahn--Teller distortions, and are discussed in relation to INDO calculations. 3 figures, 7 tables.
- OSTI ID:
- 6059299
- Journal Information:
- J. Phys. Chem.; (United States), Journal Name: J. Phys. Chem.; (United States) Vol. 83:15; ISSN JPCHA
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
400104* -- Spectral Procedures-- (-1987)
400301 -- Organic Chemistry-- Chemical & Physicochemical Properties-- (-1987)
ALKENES
ALKOXY RADICALS
ALKYL RADICALS
AMMONIA
ANGULAR MOMENTUM
ANIONS
CHARGED PARTICLES
COUPLING CONSTANTS
CYCLOALKENES
ELECTRON SPIN RESONANCE
ENERGY LEVELS
EXCITED STATES
HYDRIDES
HYDROCARBONS
HYDROGEN COMPOUNDS
IONS
JAHN-TELLER EFFECT
MAGNETIC RESONANCE
METHOXY RADICALS
METHYL RADICALS
NITROGEN COMPOUNDS
NITROGEN HYDRIDES
OCTYL RADICALS
ORGANIC COMPOUNDS
PARTICLE PROPERTIES
RADICALS
RESONANCE
SPIN
TEMPERATURE DEPENDENCE
VIBRATIONAL STATES