Comments on Empirical Correlations between Reduction Potential of Carbon‐Halogen Bonds and NQR. Frequencies of Halogen Atoms in Organic Molecules

Abstract

AbstractAn empirical linear correlation exists between nuclear quadrupole resonance frequencies of halogen nuclei (35Cl, 79Br, 127I) and the polarographic reduction potentials in series of organic halides. In terms of electronic structure this is interpreted as a significant relationship between the average p‐electron population at halogen atoms and the first vacant molecular orbital of halogenated molecules. On the basis of the present correlations conclusions are drawn about some controversial mechanistic aspects of the electroreduction of the carbon‐halogen bond.