Substituent effects on benzyl radical hyperfine coupling (hfc) constants. Part 3. Comparison of the α-hfc for substituted benzyl radicals with the β-hfc for substituted cumyl radicals | Zendy

Donald R. Arnold | Zendy; A. Martin de P. Nicholas | Zendy; Miles S. Snow | Zendy

Open Access

Substituent effects on benzyl radical hyperfine coupling (hfc) constants. Part 3. Comparison of the α-hfc for substituted benzyl radicals with the β-hfc for substituted cumyl radicals

Author(s) -

Donald R. Arnold,

A. Martin de P. Nicholas,

Miles S. Snow

Publication year - 1985

Publication title -

canadian journal of chemistry

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.323

H-Index - 68

eISSN - 1480-3291

pISSN - 0008-4042

DOI - 10.1139/v85-195

Subject(s) - radical , chemistry , substituent , electron paramagnetic resonance , delocalized electron , hyperfine structure , coupling constant , hyperfine coupling , linear correlation , computational chemistry , photochemistry , organic chemistry , nuclear magnetic resonance , atomic physics , physics , statistics , mathematics , particle physics

The electron spin resonance (esr) spectra of eighteen para-substituted cumyl radicals were analyzed. The relationship between the β-hyperfine coupling (β-hfc) constants of these cumyl radicals and the corresponding α-hfc constants of benzyl radicals was studied. Although there is a general trend for the α- and β-hfc values to vary in a similar manner, specific deviations from a linear correlation between these parameters were observed. These deviations were rationalized by considering charge effects on spin delcoalization. The correlation coefficient for the linear regression analysis of these α- and β-hfc values was found to significantly improve when β arameters reflecting charge effects on spin delocalization were included in an extended Hammett treatment of the spectral data.

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