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Elusive interplay of 3D structural similarity and twinning in mechanical flexibility of luminescent organic crystals

Subhrajyoti Bhandary (UGent) , Tara Ryan, Pavan Sreenivasa Rao, Noel O'Dowd, Anthony Linden, Anna Kaczmarek (UGent) , Sarah Guerin and Kristof Van Hecke (UGent)
(2025) SMALL. 21(19).
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Abstract
The properties of molecular crystalline solids are critically dependent on the spatial arrangement of molecules and underlying noncovalent interactions. Here, two new isoelectronic cocrystals of a substituted carbazole-based emitter are presented, with bipyridyl ethylene and azene molecules, namely, cocrystal 1 and cocrystal 2, respectively. Though both isoelectronic cocrystals are also three-dimensional (3D) isostructural at the supramolecular level, they show similar photoluminescence properties as anticipated, but irreconcilable macroscopic mechanical properties. Upon applying external stress on their respective major crystal faces, cocrystal 1 is elastically flexible, while the 3D isostructural cocrystal 2 exhibits brittle fracture. Remarkably, elastic flexibility in cocrystal 2 can be induced through twinning-mediated crystal face modification, without any change in crystal structure.
Keywords
cocrystals, crystal twinning, elastic flexibility, isostructural, photoluminescence, ISOSTRUCTURALITY, POLYMORPHISM, FLUORESCENT, MORPHOLOGY

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Citation

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MLA
Bhandary, Subhrajyoti, et al. “Elusive Interplay of 3D Structural Similarity and Twinning in Mechanical Flexibility of Luminescent Organic Crystals.” SMALL, vol. 21, no. 19, 2025, doi:10.1002/smll.202501145.
APA
Bhandary, S., Ryan, T., Rao, P. S., O’Dowd, N., Linden, A., Kaczmarek, A., … Van Hecke, K. (2025). Elusive interplay of 3D structural similarity and twinning in mechanical flexibility of luminescent organic crystals. SMALL, 21(19). https://doi.org/10.1002/smll.202501145
Chicago author-date
Bhandary, Subhrajyoti, Tara Ryan, Pavan Sreenivasa Rao, Noel O’Dowd, Anthony Linden, Anna Kaczmarek, Sarah Guerin, and Kristof Van Hecke. 2025. “Elusive Interplay of 3D Structural Similarity and Twinning in Mechanical Flexibility of Luminescent Organic Crystals.” SMALL 21 (19). https://doi.org/10.1002/smll.202501145.
Chicago author-date (all authors)
Bhandary, Subhrajyoti, Tara Ryan, Pavan Sreenivasa Rao, Noel O’Dowd, Anthony Linden, Anna Kaczmarek, Sarah Guerin, and Kristof Van Hecke. 2025. “Elusive Interplay of 3D Structural Similarity and Twinning in Mechanical Flexibility of Luminescent Organic Crystals.” SMALL 21 (19). doi:10.1002/smll.202501145.
Vancouver
1.
Bhandary S, Ryan T, Rao PS, O’Dowd N, Linden A, Kaczmarek A, et al. Elusive interplay of 3D structural similarity and twinning in mechanical flexibility of luminescent organic crystals. SMALL. 2025;21(19).
IEEE
[1]
S. Bhandary et al., “Elusive interplay of 3D structural similarity and twinning in mechanical flexibility of luminescent organic crystals,” SMALL, vol. 21, no. 19, 2025.
@article{01JX7K12NDW17RDZY2M1RQQ2NN,
  abstract     = {{The properties of molecular crystalline solids are critically dependent on the spatial arrangement of molecules and underlying noncovalent interactions. Here, two new isoelectronic cocrystals of a substituted carbazole-based emitter are presented, with bipyridyl ethylene and azene molecules, namely, cocrystal 1 and cocrystal 2, respectively. Though both isoelectronic cocrystals are also three-dimensional (3D) isostructural at the supramolecular level, they show similar photoluminescence properties as anticipated, but irreconcilable macroscopic mechanical properties. Upon applying external stress on their respective major crystal faces, cocrystal 1 is elastically flexible, while the 3D isostructural cocrystal 2 exhibits brittle fracture. Remarkably, elastic flexibility in cocrystal 2 can be induced through twinning-mediated crystal face modification, without any change in crystal structure.}},
  articleno    = {{2501145}},
  author       = {{Bhandary, Subhrajyoti and Ryan, Tara and Rao, Pavan Sreenivasa and O'Dowd, Noel and Linden, Anthony and Kaczmarek, Anna and Guerin, Sarah and Van Hecke, Kristof}},
  issn         = {{1613-6810}},
  journal      = {{SMALL}},
  keywords     = {{cocrystals,crystal twinning,elastic flexibility,isostructural,photoluminescence,ISOSTRUCTURALITY,POLYMORPHISM,FLUORESCENT,MORPHOLOGY}},
  language     = {{eng}},
  number       = {{19}},
  pages        = {{10}},
  title        = {{Elusive interplay of 3D structural similarity and twinning in mechanical flexibility of luminescent organic crystals}},
  url          = {{http://doi.org/10.1002/smll.202501145}},
  volume       = {{21}},
  year         = {{2025}},
}
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