Correlations between magnetic resonance parameters of ESR and NMR spectra |
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| Authors: | N. D. Chuvylkin A. M. Tokmachev |
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| Affiliation: | (1) N. D. Zelinsky Institute of Organic Chemistry, Russian Academy of Sciences, 47 Leninsky prosp, 117913 Moscow, Russian Federation;(2) Department of Chemistry, M. V. Lomonosov Moscow State University, Vorob'evy Gory, 119899 Moscow, Russian Federation |
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| Abstract: | 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. Dedicated to the memory of Academician V. V. Voevodskii (to the 80th anniversary). Translated fromIzvestiya Akademii Nauk. Seriya Khimicheskaya, No. 9, pp. 1575–1583, September, 1997 |
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| Keywords: | ESR NMR magnetic resonance parameters correlations quantum-chemical analysis |
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