Temperature-dependence study of λ-CH Proton Couplings in radicals from aliphatic carboxylic acid esters

摘要: Abstract Earlier liquid-phase EPR measurements at room temperature of the λ-CH proton couplings in CH(X 3 (X 4 )- groups ·C(X 1 )(X 2 )OC(O)CH(X X ) radicals and CH )OC(O)C(X (where an X- is H- or a simple substituent such as -) together with comprehensive INDO-MO-SCF investigations on these same species have allowed conformational preferences to be deduced. The experimentally observed long-range were demonstrated sensitive probes variations preferred radical conformation induced by steric electronic effects alkyl substituents. present paper shows that dependence coupling constants two types can used successfully determine their conformations temperature. so obtained confirm those previously assigned using calculations.