Simple Molecular Orbital Theory of Conjugation in Vinyl Bromide and Bromobenzene

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Abstract
Quadrupole coupling constants for vinyl bromide, supplemented by other data of spectroscopic origin, have been utilized to obtain a value for the resonance integral, βCBr, in simple molecular orbital theory with inclusion of overlap. Using this parameter, resonance dipole moments were calculated for vinyl bromide and bromobenzene, in reasonable agreement with experiment. Assumptions and approximations involved in the method are reviewed, and the properties of carbon‐halogen bonds are discussed in the light of the results of this and similar previous studies.