Elusive Interplay of 3D Structural Similarity and Twinning in Mechanical Flexibility of Luminescent Organic Crystals
Source abstract
Abstract
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.
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Research context
OpenAlex topics: Luminescence and Fluorescent Materials · Crystallography and molecular interactions · Supramolecular Chemistry and Complexes
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
Affiliations
XStruct Department of Chemistry Ghent University Krijgslaan 281‐S3 Ghent 9000 Belgium
Department of Physics Bernal Institute University of Limerick Limerick V94 T9PX Ireland
School of Engineering Bernal Institute University of Limerick Limerick V94 T9PX Ireland
Department of Chemistry University of Zurich Zurich CH‐8057 Switzerland
NanoSensing Group Department of Chemistry Ghent University Krijgslaan 281‐S3 Ghent 9000 Belgium
SSPC The Science Foundation Ireland Research Centre for Pharmaceuticals University of Limerick Limerick V94 T9PX Ireland
Funding
HORIZON EUROPE European Research Council · Bijzonder Onderzoeksfonds UGent · Science Foundation Ireland
References (59)
Show source-provided references
1. 10.1021/jacs.1c0767810.1021/jacs.1c07678 ↗
2. 10.1002/adma.20170475910.1002/adma.201704759 ↗
3. 10.1021/acs.accounts.8b0042510.1021/acs.accounts.8b00425 ↗
4. 10.1039/D1TC04708F10.1039/D1TC04708F ↗
5. 10.1021/acsnano.0c0536710.1021/acsnano.0c05367 ↗
6. 10.1038/s41467-021-21076-910.1038/s41467-021-21076-9 ↗
7. 10.1039/b505212b10.1039/b505212b ↗
8. 10.1021/acs.accounts.2c0002710.1021/acs.accounts.2c00027 ↗
9. 10.1002/anie.20230472210.1002/anie.202304722 ↗
10. 10.1021/jacs.0c0544010.1021/jacs.0c05440 ↗
11. 10.1021/jacs.2c0928510.1021/jacs.2c09285 ↗
12. 10.1021/jacs.4c0097810.1021/jacs.4c00978 ↗
13. 10.1039/D2TC04642C10.1039/D2TC04642C ↗
14. 10.1002/smll.20240618410.1002/smll.202406184 ↗
15. 10.1039/D1CS00469G10.1039/D1CS00469G ↗
16. 10.1039/D1CE00173F10.1039/D1CE00173F ↗
17. 10.1038/s41467-021-26204-z10.1038/s41467-021-26204-z ↗
18. 10.1039/D0CC05904H10.1039/D0CC05904H ↗
19. 10.1002/smll.20220616910.1002/smll.202206169 ↗
20. 10.1002/adom.20200095910.1002/adom.202000959 ↗
21. 10.1039/D2SC03729G10.1039/D2SC03729G ↗
22. 10.1038/s41467-020-15663-510.1038/s41467-020-15663-5 ↗
23. 10.1039/C8SC03135E10.1039/C8SC03135E ↗
24. 10.1002/adfm.20200411610.1002/adfm.202004116 ↗
25. 10.1002/anie.20200382010.1002/anie.202003820 ↗
26. 10.1038/s41467-022-35432-w10.1038/s41467-022-35432-w ↗
27. 10.1002/anie.20120460410.1002/anie.201204604 ↗
28. 10.1002/anie.20141073010.1002/anie.201410730 ↗
29. 10.1021/jacs.6b1183510.1021/jacs.6b11835 ↗
30. 10.1002/anie.20181042210.1002/anie.201810422 ↗
31. 10.1002/anie.20150931910.1002/anie.201509319 ↗
32. 10.1002/chem.20050098310.1002/chem.200500983 ↗
33. 10.1039/D3SC06462J10.1039/D3SC06462J ↗
34. 10.1021/acs.chemmater.4c0133210.1021/acs.chemmater.4c01332 ↗
35. 10.1002/anie.20200971410.1002/anie.202009714 ↗
36. 10.1107/S010876819300610X10.1107/S010876819300610X ↗
37. 10.1107/S205225252301043610.1107/S2052252523010436 ↗
38. IUCr definition Two crystals are said to be isostructural if they have the same crystal structure but not necessarily the same unit cell dimensions nor the same chemical composition https://dictionary.iucr.org/Isostructural_crystals.
39. 10.1038/s41467-022-30048-610.1038/s41467-022-30048-6 ↗
40. 10.1021/jacs.1c1248510.1021/jacs.1c12485 ↗
41. 10.1002/chem.20180196510.1002/chem.201801965 ↗
42. 10.1021/ar500087410.1021/ar5000874 ↗
43. 10.1002/anie.20120197110.1002/anie.201201971 ↗
44. 10.1002/anie.20180068110.1002/anie.201800681 ↗
45. 10.1021/acsami.7b1582810.1021/acsami.7b15828 ↗
46. 10.1039/ft996920210710.1039/ft9969202107 ↗
47. The structure of cocrystal 2 can also be determined in the standardP21/cspace group setting with a unit cell of a = 11.6872(4) Å b = 5.6059(2) Å c = 257414 Å β = 103.863(3)° V = 1637.38(10) Å3 which has a slightly longer c‐axis and larger β angle compared to the unit cell in theP21/nsetting (a = 11.6865(3) Å b = 5.6085(2) Å c = 25.5950(8) Å β = 102.459(3)° V = 1638.09(9) Å3). Therefore the convention is to choose theP21/nsetting (featuring shorter c‐axis and more nearly orthogonal unit cell) for all analyses (see also Table S1).
48. 10.1039/C4CC09074H10.1039/C4CC09074H ↗
49. 10.1039/C6CP05917A10.1039/C6CP05917A ↗
50. 10.1039/c2ce25508a10.1039/c2ce25508a ↗
51. 10.1039/b502484f10.1039/b502484f ↗
52. 10.1039/C5CC09741J10.1039/C5CC09741J ↗
53. 10.1021/cg060398w10.1021/cg060398w ↗
54. 10.1107/S205979831901017910.1107/S2059798319010179 ↗
55. 10.1016/S0022-0248(99)00129-310.1016/S0022-0248(99)00129-3 ↗
56. 10.1021/jp990992z10.1021/jp990992z ↗
57. 10.1039/D1CE00453K10.1039/D1CE00453K ↗
58. 10.1039/D2TC00076H10.1039/D2TC00076H ↗
59. 10.1002/anie.20120500210.1002/anie.201205002 ↗