Russian Chemical Bulletin

, Volume 46, Issue 9, pp 1501–1509 | Cite as

Correlations between magnetic resonance parameters of ESR and NMR spectra

  • N. D. Chuvylkin
  • A. M. Tokmachev


Empirically established correlations between magnetic resonance parameters of free radicals (g-factors, isotropic hyperfine coupling constans) and isostructural molecules (chemical shifts, isotropic spin-spin coupling constants) or structurally similar ligands in paramagnetic transition metal complexes (isotropic chemical shifts) are systematized and critically discussed. Quantum-chemical analysis of the suggested spin distribution damping coefficients in model systems and structurally similar chemical compounds is performed. Based on the results obtained, physicochemical interpretation of the observed correlations between the parameters of ESR and NMR spectra is given.

Key words

ESR NMR magnetic resonance parameters correlations quantum-chemical analysis 


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Copyright information

© Plenum Publishing Corporation 1997

Authors and Affiliations

  • N. D. Chuvylkin
    • 1
  • A. M. Tokmachev
    • 2
  1. 1.N. D. Zelinsky Institute of Organic ChemistryRussian Academy of SciencesMoscowRussian Federation
  2. 2.Department of ChemistryM. V. Lomonosov Moscow State UniversityMoscowRussian Federation

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