[HTML][HTML] Noncomparative scaling of aromaticity through electron itinerancy

S Paul, T Goswami, A Misra - AIP Advances, 2015 - pubs.aip.org
Aromaticity is a multidimensional concept and not a directly observable. These facts have
always stood in the way of developing an appropriate theoretical framework for scaling of
aromaticity. In the present work, a quantitative account of aromaticity is developed on the
basis of cyclic delocalization of π-electrons, which is the phenomenon leading to unique
features of aromatic molecules. The stabilization in molecular energy, caused by
delocalization of π-electrons is obtained as a second order perturbation energy for …
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