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Synthesis and properties of the first Mobius annulenes

机译：第一批莫比乌斯环烯的合成与性质

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Heilbronner in 1964 predicted that annulenes with "... a planar perimeter of N=4r AO's, which would yield an open shell configuration when occupied by 4r electrons, can be twisted into a closed shell Mobius strip perimeter without loss in it electron energy". We have been able to synthesize the first [4n]annulene with such a Mobius topology and now present further Mobius isomers and the details of their preparation as stable compounds. To address the question whether the twist in the a system has an effect on the properties we systematically investigate energy, geometry and magnetic parameters of a large number isomers of [16]annulenes. The Mobius twisted annulenes are consistently more aromatic than the non-twisted isomers. This is true for the parent as well as our benzoannelated systems. Our results are in contrast to those published recently by C. Castro, W L. Karney, P. von R. Schleyer et al.
机译：海尔布隆纳（Heilbronner）在1964年预测，具有“ ... N = 4r AO的平面周界，当被4r电子占据时会产生开壳构型的环形物，可以扭曲成闭壳莫比乌斯带状周长，而不会损失电子能” 。我们已经能够合成具有这种Mobius拓扑结构的第一个[4n]环戊烯，现在可以提供更多的Mobius异构体及其作为稳定化合物的制备细节。为了解决系统中的扭曲是否会对性能产生影响的问题，我们系统地研究了[16]环戊烯的大量异构体的能量，几何形状和磁性参数。莫比乌斯扭曲的环烯始终比非扭曲的异构体更芳香。对于母体以及我们的苯甲酰化体系都是如此。我们的结果与C. Castro，W。L. Karney，P。von R. Schleyer等人最近发表的结果相反。

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