Barrier to internal rotation of the nitro group in ortho-nitrophenols from gas-phase electron diffractionстатья
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Дата последнего поиска статьи во внешних источниках: 14 февраля 2019 г.
Аннотация:The barrier heights to the internal rotation of the nitro group in 2- nitroresorcinol, 2-nitrophenol, 4,6-dinitroresorcinol, and nitrobenzene have been determined by the application of a dynamic model to the electron diffraction data. With Monte Carlo optimization, the results are invariant to the choice of a particular initial parameter set. The internal motion of the nitro group in 2-nitroresorcinol, 2-nitrophenol, and 4,6-dinitroresorcinol is hindered by higher barriers than in nitrobenzene, as a consequence of intramolecular hydrogen bond formation.