Mechanical Transitions in Crystals: The Low-Temperature Thermosalient Transition of a Mesogenic Polyphenyl DOI Creative Commons
Emmanuele Parisi, Emanuela Santagata, Przemysław Kula

et al.

Journal of the American Chemical Society, Journal Year: 2025, Volume and Issue: unknown

Published: April 17, 2025

Thermosalient transitions are a subset of single-crystal-to-single-crystal (SCSC) transitions, in which the change lattice parameters is highly anisotropic and very fast. As result, crystals at transition undergo macroscopic dynamical effects (hopping, jumping, shattering). These feature conversion heat to mechanical energy that can be exploited realization advanced materials. Most thermosalient observed temperatures higher than room temperature. Examples low-temperature rare. We describe new example sexiphenyl compound. At about -40 °C, parent single crystal (phase I) shatters into fragments phase II). The two phases have been studied by single-crystal X-ray analysis using synchrotron source, variable-temperature Raman spectroscopy, computational normal vibration modes. A mechanism proposed. confirm colossal thermal expansion coefficients supercells as reliable features add third low-frequency principal optical prompting transition. Based on this, roadmap for automated prediction molecular also outlined.

Language: Английский

Notizen aus der Forschung DOI
Céline Calviño, Georg Dierkes,

Stephan Hammer

et al.

Nachrichten aus der Chemie, Journal Year: 2025, Volume and Issue: 73(2), P. 42 - 45

Published: Jan. 31, 2025

Nachrichten aus der ChemieVolume 73, Issue 2 p. 42-45 Wissenschaft + Forschung Notizen Céline Calvino, CalvinoSearch for more papers by this authorGeorg Dierkes, Georg DierkesSearch authorStephan Hammer, Stephan HammerSearch authorJohanna Heine, Johanna HeineSearch authorConstantin Hoch, Constantin HochSearch authorUllrich Jahn, Ullrich JahnSearch authorTim Neudecker, Tim NeudeckerSearch authorErik Strub, Erik StrubSearch authorFrank Tambornino, Frank TamborninoSearch author First published: 31 January 2025 https://doi.org/10.1002/nadc.20254147399Read the full textAboutPDF ToolsRequest permissionExport citationAdd to favoritesTrack citation ShareShare Give accessShare text full-text accessPlease review our Terms and Conditions of Use check box below share version article.I have read accept Wiley Online Library UseShareable LinkUse link a article with your friends colleagues. Learn more.Copy URL Share linkShare onEmailFacebookxLinkedInRedditWechat No abstract is available article. References 1Nat. Commun., doi: 10.1038/s41467-024-52856-8 Google Scholar 2Chem. Sci., 10.1039/D4SC05891G 3Inorg. Chem., 10.1021/jacs.4c12441 4Nature, 10.1038/s41586-024-08256-5 5J. Am. Chem. Soc., 10.1021/jacs.4c12125 6Chem. Eur. J., 10.1002/chem.202403893 7Environ. Sci. Technol., 10.1021/acs.est.4c08315 8J. 10.1021/jacs.4c08867 9J. 10.1021/jacs.4c12611 10Nature, 10.1038/s41586-024-08399-5 11J. Phys. Lett., 10.1021/acs.jpclett.4c02813 12J. Theory Comput., 10.1021/acs.jctc.4c01334 13Nature, 10.1038/s41586-024-08195-1 14Science, 10.1126/science.adp0974 Volume73, Issue2Februar 2025Pages ReferencesRelatedInformation

Language: Английский

Citations

0
Structural Evolution Leading to the Thermosalient Phase Transition of Oxitropium Bromide DOI Creative Commons
Teodoro Klaser, Jasminka Popović, Ivor Lončarić

et al.

Molecules, Journal Year: 2025, Volume and Issue: 30(5), P. 1107 - 1107

Published: Feb. 28, 2025

This study investigates the thermosalient effect in oxitropium bromide, with a focus on role of anisotropic thermal expansion, elastic properties, and sound propagation driving this phenomenon. Variable-temperature X-ray powder diffraction (VTXRPD) revealed significant including negative expansion (NTE) along c-axis low-temperature Form A. Density functional theory (DFT) calculations were used to analyze properties bromide confirmed that it does not exhibit compressibility, emphasizing anisotropy as primary factor phase transition. Studies constants demonstrated preferred pathway for energy transfer z-direction, enabling rapid strain release during These findings arises from cooperative molecular motion, resulting an abrupt energetic transformation driven by interplay structural properties.

Language: Английский

Citations

0
Dynamic Molecular Cocrystals with Alkyl Chain Dependent Thermosalient Phase Transitions DOI Creative Commons

Jiantao Meng,

Yuan Su, Hangyu Zhu

et al.

Advanced Science, Journal Year: 2025, Volume and Issue: unknown

Published: April 15, 2025

Abstract Thermally responsive molecular crystals exhibiting programmable mechanical motions hold significant promise for applications in smart actuators, sensors, and drug delivery systems. However, achieving precise control over their phase transition thermodynamics remains a fundamental challenge. A series of isomorphic 5‐fluorocytosine/fatty acid cocrystals is reported where the temperatures vary across an interval 100 K with increasing alkyl chain. Two distinct pathways are unveiled: i) cooperative single‐crystal‐to‐single‐crystal (II‐III) accompanied by explosive motions, ii) reconstructive (I‐III) following classical nucleation‐growth mechanisms. The induces remarkable expansion, striking +64.4% expansion along layer stacking direction −16.9% contraction perpendicular to (001) plane, leading dynamic phenomena such as jumping, rotating, splitting. Notably, ( T t, II‐III ) exhibit linear dependence on coformer chain length (from C10 C18), correlation attributed interlayer hydrophobic interactions. This work provides versatile approach designing tunable thermo‐mechanical properties, offering new opportunities advanced functional materials.

Language: Английский

Citations

0
Mechanical Transitions in Crystals: The Low-Temperature Thermosalient Transition of a Mesogenic Polyphenyl DOI Creative Commons
Emmanuele Parisi, Emanuela Santagata, Przemysław Kula

et al.

Journal of the American Chemical Society, Journal Year: 2025, Volume and Issue: unknown

Published: April 17, 2025

Thermosalient transitions are a subset of single-crystal-to-single-crystal (SCSC) transitions, in which the change lattice parameters is highly anisotropic and very fast. As result, crystals at transition undergo macroscopic dynamical effects (hopping, jumping, shattering). These feature conversion heat to mechanical energy that can be exploited realization advanced materials. Most thermosalient observed temperatures higher than room temperature. Examples low-temperature rare. We describe new example sexiphenyl compound. At about -40 °C, parent single crystal (phase I) shatters into fragments phase II). The two phases have been studied by single-crystal X-ray analysis using synchrotron source, variable-temperature Raman spectroscopy, computational normal vibration modes. A mechanism proposed. confirm colossal thermal expansion coefficients supercells as reliable features add third low-frequency principal optical prompting transition. Based on this, roadmap for automated prediction molecular also outlined.

Language: Английский

Citations

0