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Hyperfine coupling constants of muonium-substituted cyclohexadienyl radicals in the gas phase: C6H6Mu, C6D6Mu, C6F6Mu

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Abstract

Muon spin rotation (μSR) and avoided level crossing resonance (ALCR) have been used to determine the hyperfine coupling constants (hfcs) of the muonium-substituted cyclohexadienyl radicals C6H6Mu, C6D6Mu and C6F6Mu in the gas phase, at pressures ∼1 and 15 atm and temperatures in the range 40–80°C. Equivalent studies of polyatomic free radicals in gases, by electron spin resonance (ESR) spectroscopy, are generally not possible in this pressure range. The present gas phase results support the findings of earlier studies of cyclohexadienyl radicals in the condensed phase, by both μSR and ESR. Minor but not insignificant (∼1%) effects on the hfcs are observed, which can be qualitatively understood for such nonpolar media in terms of their differing polarizabilities. This is the first time that comparisons of this nature have been possible between different phases at the same temperatures. These μSR/ALCR gas-phase results provide a valuable benchmark for computational studies on radicals, free from possible effects of solvent or matrix environments.

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Author notes

  1. M. Y. Shelley

    Present address: Department of Chemistry, Miami University, Oxford, Ohio, USA

  2. M. Senba

    Present address: Department of Physics, Dalhousie University, Halifax, Canada

Authors and Affiliations

  1. TRIUMF and Department of Chemistry, University of British Columbia, V6T 2Z1, Vancouver, B.C., Canada

    D. G. Fleming, D. J. Arseneau, J. (Jun) Pan, M. Y. Shelley & M. Senba

  2. TRIUMF and Department of Chemistry, Simon Fraser University, Burnaby, B.C., Canada

    P. W. Percival

Authors
  1. D. G. Fleming
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  2. D. J. Arseneau
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  3. J. (Jun) Pan
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  4. M. Y. Shelley
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  5. M. Senba
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  6. P. W. Percival
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Fleming, D.G., Arseneau, D.J., Pan, J.(. et al. Hyperfine coupling constants of muonium-substituted cyclohexadienyl radicals in the gas phase: C6H6Mu, C6D6Mu, C6F6Mu. Appl. Magn. Reson. 13, 181–194 (1997). https://doi.org/10.1007/BF03161980

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  • DOI: https://doi.org/10.1007/BF03161980

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