Geminal coupling constants, dependence

Rattet, L. S., Williams, A. D., Goldstein, J. H. Dependence of rp3 Geminal Coupling Constants in Acetal and Some Haloacetals on Solvent and Concentration. J. Phys. Chem. 72, 2954(1968). 

The MPE/MCSCF approach has been employed to study the interplay of solvent and conformation effects on the spin-spin coupling constants in methanol and methylamine [72], The simulated solvent effects are noticeable for the one-bond coupling constants and for some of the geminal coupling constants but negligible for 3/ee. The dielectric continuum effects have been found to depend considerably on the molecular conformation in the case of and 27ece. It is worth noting here that the MCSCF results have confirmed the conclusions drawn in ref. [80] from semi-empirical continuum model calculations. 

The geminal coupling constant of the 2-methylene group is dependent upon the configuration of the oxide moiety thus (R)-oxides of type 239 are characterized by = 12.8 - 13.6 Hz and (S)-oxides of type 242 by =... 

A recent summary by Smith and Cox" which was based on their own (see for example. Table III) and other experimental evidence gives the following information for the solvent dependence of geminal coupling constants ( h-h) —... 

The geminal proton-proton coupling constant in a-chloroacrylo-nitrile is both solvent and temperature dependent.Hetero-nuclear spin tickling experiments were used to show that the sign of the geminal coupling constant is of opposite sign to that of... 

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