Loading...
research article
π-Depletion as criterion to predict π-stacking ability
The screening of molecular targets benefits greatly from rational design criteria, which can detect the most promising candidates. We demonstrate that π-depleted polyaromatic molecules present superior π-stacking ability. This counterintuitive realization is quantified using a novel computational criterion, LOLIPOP that identifies π-conjugated frameworks presenting the desired electronic features. The utility of the LOLIPOP criterion is demonstrated by identifing chemosensors presenting enhanced π-stacking ability.
Type
research article
Web of Science ID
WOS:000307646700006
Publication date
2012
Publisher
Published in
Volume
48
Issue
74
Start page
9239
End page
9241
Peer reviewed
NON-REVIEWED
Available on Infoscience
July 23, 2012
Use this identifier to reference this record