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

被引：5

作者：

Klimovitskii, A. E.

Zvereva, E. E.

Chmutova, G. A.

Dobrynin, A. B.

Fedorenko, V. Yu.

Shtyrlin, Yu. G.

Litvinov, I. A.

Bulygina, T. V.

Klimovitskii, E. N.

机构：

[1] Kazan VI Lenin State Univ, AM Butlerov Chem Res Inst, Kazan 420111, Russia

[2] Russian Acad Sci, AE Arbuzov Organ & Phys Chem Inst, Kazan 420088, Russia

来源：

JOURNAL OF MOLECULAR STRUCTURE | 2007年 / 828卷 / 1-3期

基金：

俄罗斯基础研究基金会;

关键词：

seven-membered bicyclic acetals; IR spectroscopy; X-ray crystallography; ab initio calculations;

D O I：

10.1016/j.molstruc.2006.05.045

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

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. (c) 2006 Elsevier B.V. All rights reserved.

引用

页码：147 / 153

页数：7

共 19 条

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