Twist‐Elasticity‐Controlled Crystal Emission in Highly Luminescent Polymorphs of Cyano‐Substituted Distyrylbenzene (βDCS)
Source abstract
Abstract
Abstract The occurrence of polymorphs in crystals of luminescent π‐conjugated organic materials is an intriguing matter, particularly because polymorphs can give rise to widely different broadband and amplified emission properties. Here, a new, highly luminescent polymorph of cyano‐substituted distyrylbenzene, being a prominent example of “twist elasticity”—the ability of a molecule to react to external constraints with substantial changes in the torsional coordinates, is investigated. The twist elasticity concept is fully explored here through molecular modeling by comparison of the new polymorph with two known ones exhibiting largely different intra‐ and intermolecular coordinates. In a second step, the impact of intra‐ and intermolecular contributions on the spontaneous and stimulated emission properties observed in the crystals is rationalized, being in all a crucial step in targeted design of optoelectronic materials.
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Research context
OpenAlex topics: Luminescence and Fluorescent Materials · Organoboron and organosilicon chemistry · Perovskite Materials and Applications
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
Affiliations
Madrid Institute for Advanced Studies IMDEA Nanoscience Calle Faraday 9, Campus Cantoblanco 28049 Madrid Spain
Center for Supramolecular Optoelectronic Materials and WCU Hybrid Materials Program Department of Materials Science and Engineering Seoul National University ENG 445 Seoul 151‐744 Korea
Institute for Fluid Dynamics Nanoscience and Industrial Mathematics Universidad Carlos III de Madrid Av. de la Universidad 30 E‐28911 Leganés Spain
Department for Physical Chemistry Faculty of Chemistry University of Valencia Avenida Dr. Moliner 50 46100 Burjassot (Valencia) Spain
Funding
Ministerio de Economía y Competitividad · National Research Foundation of Korea
References (43)
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