The additivity relationship and substituent effects studied by EPR and multiresonance spectroscopy

Autor: Reijo Mäkelä, Heikki Joela
Rok vydání: 1989
Předmět:
Zdroj: Journal of Magnetic Resonance (1969). 84:236-246
ISSN: 0022-2364
DOI: 10.1016/0022-2364(89)90367-3
Popis: The additivity relationship is studied for anion radicals of substituted benzenes using EPR spectroscopy. Additivity parameters were calculated separately for the symmetrical and antisymmetrical states of the degenerate parent molecule. It is shown that the additivity relationship gives better results when the signs of the coupling constants are taken into account. Hyperfine coupling constants, with their signs, were measured by ENDOR and TRIPLE resonance spectroscopy for two anion radicals of substituted benzene: cyanobenzene and m -dinitrobenzene. In addition a theory is developed for the electron donor and acceptor property of a substituent.
Databáze: OpenAIRE