Bultinck Patrick, Fias Stijn, Ponec Robert
Ghent University, Department of Inorganic and Physical Chemistry, Krijgslaan 281 (S-3), 9000 Gent, Belgium.
Chemistry. 2006 Nov 24;12(34):8813-8. doi: 10.1002/chem.200600541.
The local aromaticity of benzenoid rings is examined by means of the Polansky index (P) and generalized population analysis (GPA). The results are found to agree very well with recently published circuit-condensed ring currents and magnetic-energetic aromaticity indices, but no correlation is found with nucleus independent chemical shifts (NICS). This is usually seen as a manifestation of the more general multidimensional nature of aromaticity. This paper examines the sources for the observed correlations, showing that some indices give conflicting results because they inherently reflect different phenomena.
通过波兰斯基指数（P）和广义布居分析（GPA）来研究苯环的局部芳香性。结果发现与最近发表的环缩合环电流和磁能芳香性指数非常吻合，但与核独立化学位移（NICS）没有相关性。这通常被视为芳香性更普遍的多维性质的一种表现。本文研究了观察到的相关性的来源，表明一些指数给出相互矛盾的结果，因为它们本质上反映了不同的现象。
