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首页> 外文期刊>Chemistry: A European journal >Quantification of aromaticity in oxocarbons:the problem of the fictitious 'Nonaromatic' reference system
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Quantification of aromaticity in oxocarbons:the problem of the fictitious 'Nonaromatic' reference system

机译：碳氧化合物中芳香性的定量：虚构的“非芳香族”参考系统的问题

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摘要

Despite the extensive research reported in the literature, the concept of aromaticity has eluded rigorous quantification. The main reason for this undesirable reality is the fact tht aromaticity is a differential propery. While bond orders, atomic charges and electronegativity differences are properties of the molecule under analysis, the aromaticity concept often refers to the difference between some property of the molecule and that of an aftificial "nonaromatic" reference system. A rigorous difinition of such a reference system is non-existing and therefore constituting the main barrier to obtain a satisfactory quantification of the aromatic concept. Oxoacarbon acids and their anions are examples where the criteria of aromaticity that use reference systems are unsuccessful, only NICS criterion gives satisfactory results. Wiberg bond indexes and ~(71)O NMR chemical shifts are also useful to study such compounds.
机译：尽管文献中进行了广泛的研究，但是芳香性的概念仍未进行严格的定量。造成这种不良情况的主要原因是芳香性是一种不同的特性。尽管键序，原子电荷和电负性差异是所分析分子的特性，但芳香性概念通常是指分子的某些特性与非人工“非芳族”参考系统的特性之间的差异。这种参比体系不存在严格的定义，因此构成了对香气概念进行满意定量的主要障碍。氧碳酸及其阴离子是使用参考系统的芳香性标准不成功的例子，只有NICS标准才能给出令人满意的结果。 Wiberg键指数和〜（71）O NMR化学位移也可用于研究此类化合物。

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