π-Depletion as a criterion to predict π-stacking ability
Chemical Communications2012Vol. 48(74), pp. 9239–9239
Citations Over TimeTop 16% of 2012 papers
Jérôme F. Gonthier, Stephan N. Steinmann, Loı̈c M. Roch, Albert Ruggi, Nicolas Luisier, Kay Severin, Clémence Corminbœuf
Abstract
The screening of molecular targets benefits from design criteria, which can identify the most promising candidates. We demonstrate that π-depleted polyaromatic molecules present superior π-stacking ability. This realization is quantified using a computational criterion, LOLIPOP, that detects ideal π-conjugated frameworks. The utility of LOLIPOP is illustrated by identifying tailored chemosensors.
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