posted on 2002-08-30, 00:00authored byAlexander A. Tishkov, Alexander D. Dilman, Valery I. Faustov, Arsenij A. Birukov, Konstantin S. Lysenko, Paul A. Belyakov, Sema L. Ioffe, Yury A. Strelenko, Michael Yu. Antipin
The structure and stereodynamics of N,N-bis(silyloxy)enamines (1), a new class of enamines
with extraordinary reactivity, have been simulated by the DFT PBE/TZP method. The computed pattern of
dynamic behavior and structural peculiarities of 1 was shown to reflect adequately the results of the studies
by a series of physical methods including X-ray analysis and dynamic NMR and UV spectroscopies, which
provided evidence of a rather low barrier for rotation around the C,N single bond, a negligible contribution
of the n−π-conjugation, a high barrier of inversion, and high pyramidality of the nitrogen atom.