Electron spin resonance study of the radical anions of substituted cyclooctatetraenes: the effects of Jahn--Teller distortions and vibronic mixing

Journal Article · Thu Jul 26 00:00:00 EDT 1979 · J. Phys. Chem.; (United States)

DOI:https://doi.org/10.1021/j100478a022· OSTI ID:6059299

Hammons, J H ^[1]; Bernstein, M; Myers, R J

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1. 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), Vol. 83:15
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
RADICALS
ELECTRON SPIN RESONANCE
AMMONIA
ANIONS
COUPLING CONSTANTS
CYCLOALKENES
JAHN-TELLER EFFECT
METHOXY RADICALS
METHYL RADICALS
OCTYL RADICALS
ORGANIC COMPOUNDS
SPIN
TEMPERATURE DEPENDENCE
VIBRATIONAL STATES
ALKENES
ALKOXY RADICALS
ALKYL RADICALS
ANGULAR MOMENTUM
CHARGED PARTICLES
ENERGY LEVELS
EXCITED STATES
HYDRIDES
HYDROCARBONS
HYDROGEN COMPOUNDS
IONS
MAGNETIC RESONANCE
NITROGEN COMPOUNDS
NITROGEN HYDRIDES
PARTICLE PROPERTIES
RESONANCE
400104* - Spectral Procedures- (-1987)
400301 - Organic Chemistry- Chemical & Physicochemical Properties- (-1987)