Cg. Zhan et Zm. Hu, GENERALIZED RELATIONSHIP FOR CALCULATION OF NUCLEAR SPIN-SPIN COUPLING-CONSTANTS BETWEEN DIRECTLY BONDED CARBON AND HYDROGEN-ATOMS, Magnetic resonance in chemistry, 32(8), 1994, pp. 465-467
A generalized relationship to describe bond coupling constants is intr
oduced. This expression includes the contributions for hybrid orbitals
and the net atomic charges. The resulting expression provides an exce
llent description of directly bonded C-H coupling constants. This equa
tion is suitable both for hydrocarbons and for molecules with -I+ and
-I- substituents.