Polarity and structure of eight-membered organosilicon compounds with planar fragments |
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| Authors: | I. A. Vereshchagina A. A. Gazizova E. A. Ishmaeva A. P. Timosheva D. V. Chachkov N. V. Timosheva |
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| Affiliation: | (1) Kazan State University, ul. Kremlevskaya 18, Kazan, 420008, Tatarstan, Russia;(2) Kazan State Technological University, Kazan, Tatarstan, Russia;(3) Arbuzov Institute of Organic and Physical Chemistry, Kazan Research Center, Russian Academy of Sciences, Kazan, Tatarstan, Russia;(4) Kazan Research Center, Russian Academy of Sciences, Kazan, Tatarstan, Russia;(5) Massachusets University, Amherst, Massachusets, USA |
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| Abstract: | For the first time is determined the polarity of eight-membered silocyns with planar fragments. By the methods of dipole moments and theoretical calculations (DFT B3LYP/6-31G*) of 1,3,2-dioxasilocyns is established that in these compounds occurs the conformational equilibrium of the forms bath-chair and distorted bath with the predominance of the first, in this case the bonds C(sp 3)-S and C(sp 3)-H of the exocyclic MeSCH2 group are in the not eclipsed gauche orientation relative to each other. |
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