Abstract
Anab initio quantum-chemical calculation of the direct13C−1H spin-spin coupling constants in the CH4−H2O system was carried out and experimental data obtained for a series ofN-vinyl compounds were analyzed. The specific C-H ....X (X = O, N) intramolecular interactions result in increasing the direct13C−1H spin-spin coupling constant of the hydrogen involved in bonding and decreasing the direct13C-1H spin-spin coupling constant for the hydrogen atom that takes no part in the interaction.
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