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首页> 外文期刊>Chemistry: A European journal >Identification of a Lead Candidate in the Search for Carbene-Stabilised Homoaromatics
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Identification of a Lead Candidate in the Search for Carbene-Stabilised Homoaromatics

机译：在寻找稳定碳的芳香族化合物中寻找潜在的候选人

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摘要

The effect of carbenes as Lewis donor groups on the homoaromaticity of mono- and bicyclic organic molecules is surveyed. The search for viable carbene-stabilised homoaromatics resulted in a large amount of rejected candidates as well as nine promising candidates that are further analysed for their homoaromaticity by using a number of metrics. Of these, five appeared to show modest homoaromaticity, whereas another compound showed a level of homoaromaticity comparable with the homotropylium cation benchmark compound. Isoelectronic analogues and constitutional isomers of the lead compound were investigated, however, none of these showed comparable homoaromaticity. The implications of these calculations on the design of donor-stabilised homoaromatics are discussed.
机译：考察了作为路易斯供体基团的卡宾对单环和双环有机分子均芳香性的影响。对可行的卡宾稳定的均芳烃的搜索导致了大量被拒绝的候选物以及九种有前途的候选物，这些候选物通过使用多种指标进行了进一步的均芳性分析。在这些化合物中，有五个似乎显示出适度的均芳香性，而另一种化合物显示出的水平具有与同向阳离子阳离子基准化合物相当的水平。研究了先导化合物的等电子类似物和结构异构体，但是，这些都没有显示出可比的均芳性。讨论了这些计算对供体稳定的均芳烃设计的影响。

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