Title of article :
Conformational isomerism in 3,5,8-trioxabicyclo[5.1.0]octane and its diastereomeric 4-methyl derivatives. A combined IR, X-ray and ab initio study
Author/Authors :
Klimovitskii، نويسنده , , A.E. and Zvereva، نويسنده , , E.E. and Chmutova، نويسنده , , G.A. and Dobrynin، نويسنده , , A.B. and Fedorenko، نويسنده , , V.Yu. and Shtyrlin، نويسنده , , Yu.G. and Litvinov، نويسنده , , I.A. and Bulygina، نويسنده , , T.V. and Klimovitskii، نويسنده , , E.N.، نويسنده ,
Abstract :
IR spectroscopy and ab initio calculations have been applied to the title compounds. Bicyclic acetals were found to exist as mixture of chair and twist-boat conformations, a parent epoxide being in ternary equilibrium. X-ray data on 4-methyl (exo) derivative display a twist-boat form.
Keywords :
IR spectroscopy , X-ray crystallography , Ab initio calculations , Seven-membered bicyclic acetals
