Large Hyperconjugation in Strained Systems

Julien Racine; Stéphane Humbel

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Large Hyperconjugation in Strained Systems

机译：应变系统中的大型超共轭

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Carbocations can appear as transient species, for instance, in elimination reactions and various rearrangements. Hyperconjugation (or conjugation) can then stabilize the cationic character and form a partial p bond. The effect of the electronic delocalization from strained substituents to a carbocation part was calculated. Very large hyperconjugation was found, sometimes more than 80 kcalmol~(-1), which is much larger than typical conjugation effects (56 kcalmol~(-1) for the allyl cation).

机译：碳阳离子可能以瞬时形式出现，例如在消除反应和各种重排中。然后，超共轭（或共轭）可稳定阳离子特性并形成部分p键。计算了从应变取代基到碳正离子部分的电子离域的影响。发现非常大的超共轭，有时超过80 kcalmol〜（-1），这比典型的共轭效应大得多（烯丙基阳离子为56 kcalmol〜（-1））。

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《Chemistry: A European journal》 |2014年第39期|共6页
作者
Julien Racine; Stéphane Humbel;
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正文语种 eng
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carbocations; charge transfer; density functional calculations; hyperconjugation; strained molecules;

机译：碳阳离子;电荷转移;密度泛函计算;高共轭;应变分子;

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1. Large Hyperconjugation in Strained Systems [J] . Julien Racine, Stéphane Humbel Chemistry: A European journal . 2014,第39期

机译：应变系统中的大型超共轭
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Large Hyperconjugation in Strained Systems

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