Abstract
The internal rotation potential of the vinyl group in N-vinylpyrrole calculated by the AM-1 method is predominantly “twofold” and the barrier itself, corresponding to the gas phase, is 3.8 kcal/mole. Comparison of experimental values of the distant spin-spin coupling constant between protons of the ring and the vinyl group with those calculated using INDO-FPT confirms that the value of the barrier to internal rotation during transition to the liquid phase does not undergo large changes and is in the range 3–5 kcal/mole.
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