4399-93-3Relevant academic research and scientific papers
Interpretation of β-Hydrogen Hyperfine Splittings in the Electron Spin Resonance of the 3-Methyl-3-phenylbut-1-yl Radical
Ingold, K. U.,Nonhebel, D. C.,Wildman, T. A.
, p. 1675 - 1678 (1984)
At low temperatures the PhCMe2CH2C.H2 radical preferentially adopts a conformation in which the radical center and the phenyl substituent are gauche to each other when viewed along the Cβ-Cγ bond.The β-hydrogens are magnetically nonequivalent and the magnitudes of their hyperfine splitting represent an average over rotation about the Cα-Cβ bond.On the basis of the equation aHβ = 542 θ> G, we have derived a simple, two-component rotational potential which supports the suggestion that there is a weak, attractive interaction between the singly occupied Cα2pz orbital and the ?-cloud of the phenyl substituent.The conformations of some related radicals are also discussed.
