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 kcalmol-1 by DFT calculations, and confirmed by the measurement of internal energy barriers to the rotation of suitable nitroaryl rings
Michel Chiarucci, Alessia Ciogli, Michele Mancinelli, Silvia Ranieri, Andrea Mazzanti (2014). The Experimental Observation of the Intramolecular NO2/CO Interaction in Solution. ANGEWANDTE CHEMIE. INTERNATIONAL EDITION, 53(21), 5509-5513 [10.1002/ange.201402366].
The Experimental Observation of the Intramolecular NO2/CO Interaction in Solution
CHIARUCCI, MICHEL;MANCINELLI, MICHELE;RANIERI, SILVIA;MAZZANTI, ANDREA
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 kcalmol-1 by DFT calculations, and confirmed by the measurement of internal energy barriers to the rotation of suitable nitroaryl ringsFile in questo prodotto:
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