Issue 74, 2012

π-Depletion as a criterion to predict π-stacking ability

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.

Graphical abstract: π-Depletion as a criterion to predict π-stacking ability

  • This article is part of the themed collection: Aromaticity

Supplementary files

Article information

Article type
Communication
Submitted
30 ሜይ 2012
Accepted
24 ጁላይ 2012
First published
25 ጁላይ 2012

Chem. Commun., 2012,48, 9239-9241

π-Depletion as a criterion to predict π-stacking ability

J. F. Gonthier, S. N. Steinmann, L. Roch, A. Ruggi, N. Luisier, K. Severin and C. Corminboeuf, Chem. Commun., 2012, 48, 9239 DOI: 10.1039/C2CC33886F

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