Abstract
The geminal (HCH) and vicinal (HCCH) proton spin–spin coupling constants are of fundamental importance in the applicationsof nuclear magnetic resonance (NMR) spectroscopy in structural and conformational analysis, since they are extremely sensitiveto fine details of steric and electronic molecular structure. The nature of the dependence of the constants on individual structuralfactors (bond length, valence and dihedral angles, electronic structure of the substituents and their orientation, etc.) hasbeen examined in detail. At present a priori theoretical calculations do not allow an exact description of these relations andtherefore a semiempirical approach, based on general qualitative relations found by quantum-mechanical calculations, is verypromising. The bibliography includes 293 references.
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