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Updated: Jul 12, 2025

Spatial Separation of Molecular Conformers and Clusters
Published on: January 9, 2014
The relevance of curvature-induced quadrupolar interactions in dipolar chain aggregation
René Messina1, Ebenezer Kemgang1
1Laboratoire de Physique et Chimie Théoriques, LPCT-UMR CNRS 7019, Université de Lorraine, 1 Boulevard Arago, 57070 Metz, France.
Abstract:
The aggregation of dipolar chains driven by thermal fluctuations in an external strong (electric or magnetic) field is investigated theoretically. We discover a new simple electrostatic mechanism that rationalizes the counter-intuitive lateral coalescence of dipolar chains. There, we first demonstrate that two bent dipolar chains can either attract or repel each other depending if they possess similar or opposite curvatures, respectively. Upon bending, dipolar chains become the siege of polarization-induced local charges that in turn lead to quadrupolar couplings. This striking feature is then exploited to understand our conducted Monte Carlo simulations at finite temperature where thermal fluctuations cause local curvatures in the formed dipolar chains. The related quadrupolar attractive mode with correlated chain-curvatures is clearly identified in the simulation snapshots. Our findings shed new light on a longstanding problem in soft matter and related areas.
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