Self‐consistent perturbation‐INDO calculations of nuclear magnetic resonance carbon–carbon coupling constants for methylcycloalkanes

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Abstract
One bond 13C,13C coupling constants have been calculated for some methylcycloalkanes, as well as for 2‐methylbutane, using the self‐consistent perturbation theory as formulated by Blizzard and Santry at the INDO (intermediate neglect of differential overlap) level of approximation. Together with previously published experimental data, the results can be interpreted satisfactorily on the basis of the Walsh model for cyclopropane and the known s character relationship 1J(13C13C) = 575·s(i)· s(j).