The weak electrostatic interaction between nitro and carbonyl moieties has been observed by means of variabletemperature NMR spectroscopy. Its energetic contribution was evaluated to be about 3 kcalmol1 by DFT calculations, and confirmed by the measurement of internal energy barriers to the rotation of suitable nitroaryl rings.
The experimental observation of the intramolecular NO2/CO interaction in solution / M., Chiarucci; Ciogli, Alessia; M., Mancinelli; S., Ranieri; A., Mazzanti. - In: ANGEWANDTE CHEMIE. - ISSN 1521-3773. - ELETTRONICO. - 53:21(2014), pp. 5405-5409. [10.1002/anie.201402366]
The experimental observation of the intramolecular NO2/CO interaction in solution
CIOGLI, Alessia;
2014
Abstract
The weak electrostatic interaction between nitro and carbonyl moieties has been observed by means of variabletemperature NMR spectroscopy. Its energetic contribution was evaluated to be about 3 kcalmol1 by DFT calculations, and confirmed by the measurement of internal energy barriers to the rotation of suitable nitroaryl rings.File allegati a questo prodotto
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