Abstract
The electronic sturcture and conformational mobility of derivatives of 1,1-dicyanoethylenes were studied according to 1H and 13C NMR spectroscopy data. The change in the polarity of the ethylene bond of dicyanoethylenes by the action of substituents is considered, and the 13C NMR data and the calculation results in the CNDO approximation are compared. The free energy of activation of the molecules studied was evaluated by the dynamic PMR method. It was concluded that these systems belong to dynamic nonrigid type of molecules.
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Translated from Teoreticheskaya i Ékeperimental'naya Khimiya, Vol. 22, No. 3, pp. 316–322, May–June, 1986.
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Didkovskii, V.E., Iksanova, S.V. & Egorov, Y.P. Study of substituted 1,1-dicyanoethylenes by NMR spectroscopy. Theor Exp Chem 22, 298–304 (1986). https://doi.org/10.1007/BF00521156
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DOI: https://doi.org/10.1007/BF00521156