Вид документа : Статья из журнала Шифр издания : 54/T 44 Автор(ы) : Sevenard D. V., Kazakova O., Lork E., Duelcks T., Chizhov D. L., Roeschenthaler G.-V. Заглавие : The structure of 4-phenyl-2,6-bis(trifluoroacetyl)cyclohexanone and its dilithium salt in the crystal state, solution and gas phase Место публикации : Journal of Molecular Structure. - 2007. - Vol. 846, № 1-3. - С. 87-96 ББК : 54 Предметные рубрики: ХИМИЧЕСКИЕ НАУКИ Аннотация: 4-Phenyl-2,6-bis(trifluoroacetyl)cyclohexanone and its dilithium salt were synthesized starting from the commercially available 4-phenylcyclohexanone. With X-ray structure analysis of these compounds, for the first time the solid state structure determination for a fluorinated 1,3,5-triketone and an alkaline salt of 1,3,5-triketone was achieved. The subsequent multinuclear NMR and MS investigations revealed that in solution and gas phase, analogously to the crystal, both compounds exist predominantly in a highly delocalized double U-enol(ate) form. The carbonyl O…O distances in the dilithium salt were established to be considerably longer than the distances between oxygens of the parent 1,3,5-triketone, bonded by strong (short) resonance assisted hydrogen bonds. Among the 1,3,5-tricarbonyl compounds with known crystal structure, the entitled 1,3,5-triketone shows comparatively weak delocalization over the conjugated bis-enolone backbone. Держатели документа: Центральная научная библиотека УрО РАН Доп.точки доступа: Sevenard, D. V.; Севенард Дмитрий Викторович; Kazakova, O.; Lork, E.; Duelcks, T.; Chizhov, D. L.; Чижов Дмитрий Леонидович; Roeschenthaler, G.-V.