Low-Temperature Dynamics at Nano- and Macroscales: Organic Crystal That Exhibits Low-Temperature Molecular Motion and the Thermosalient Effect DOI Creative Commons
José L. Belmonte‐Vázquez, Durga Prasad Karothu, Carl H. Fleischer

et al.

Chemistry of Materials, Journal Year: 2025, Volume and Issue: unknown

Published: May 1, 2025

The thermosalient effect is a rarely observed, potentially very useful and at the present, unpredictable mechanical response during phase transition that thought to hold potential for rapid clean energy conversion devoid of gaseous products. Here, we report serendipitous discovery rare instance organic solid exhibits below room temperature. crystals this carbazole-based material are dynamic both molecular macroscopic scales. Using variable temperature synchrotron X-ray diffraction variable-temperature solid-state nuclear magnetic resonance (ssNMR), thoroughly examined hysteretic structural in material, emphasizing its reconfigurability. We discovered unexpected large-amplitude oscillations low-temperature phase, which challenge conventional assumptions about salient materials. Notably, combined 2H ssNMR with computational modeling reveal dual-scale dynamism, setting groundwork advancements energy-efficient actuators, sensors, intelligent This work might open new avenues developing crystalline materials can be implemented innovative devices operating seamlessly across various

Language: Английский

Manipulating a Thermosalient Crystal Using Selective Deuteration DOI Creative Commons
Alexander Angeloski, Pablo Galaviz, Richard A. Mole

et al.

Journal of the American Chemical Society, Journal Year: 2025, Volume and Issue: 147(9), P. 8032 - 8047

Published: Feb. 20, 2025

The thermosalient transformation in nickel(II) bis(diisopropyl)dithiocarbamate has been investigated using selective deuteration. deuterated crystals undergo a reversible displacive phase transition that is ∼4 K higher temperature compared to the protonated analogue. Neutron, synchrotron, density-functional theory, and calorimetric techniques were utilized demonstrate substantial effect of deuterium. All demonstrated equivalence mechanism on an atomic scale between complexes. data collected this study reveal details changes motion underpin thermosalience inherent system. Deuterium decreased frequency vibrations thus increasing observed transformation. This represents key advancement field molecular systems provides insights into control manipulation materials.

Language: Английский

Citations

1
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
Insight into the solid-liquid equilibrium behavior and apparent thermodynamic analysis of polymorphic pregnenolone (Form Ⅰ) in thirteen neat solvents DOI

Jixiu Deng,

Pengshuai Zhang,

Han Sun

et al.

Thermochimica Acta, Journal Year: 2025, Volume and Issue: unknown, P. 179979 - 179979

Published: March 1, 2025

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
Low-Temperature Dynamics at Nano- and Macroscales: Organic Crystal That Exhibits Low-Temperature Molecular Motion and the Thermosalient Effect DOI Creative Commons
José L. Belmonte‐Vázquez, Durga Prasad Karothu, Carl H. Fleischer

et al.

Chemistry of Materials, Journal Year: 2025, Volume and Issue: unknown

Published: May 1, 2025

The thermosalient effect is a rarely observed, potentially very useful and at the present, unpredictable mechanical response during phase transition that thought to hold potential for rapid clean energy conversion devoid of gaseous products. Here, we report serendipitous discovery rare instance organic solid exhibits below room temperature. crystals this carbazole-based material are dynamic both molecular macroscopic scales. Using variable temperature synchrotron X-ray diffraction variable-temperature solid-state nuclear magnetic resonance (ssNMR), thoroughly examined hysteretic structural in material, emphasizing its reconfigurability. We discovered unexpected large-amplitude oscillations low-temperature phase, which challenge conventional assumptions about salient materials. Notably, combined 2H ssNMR with computational modeling reveal dual-scale dynamism, setting groundwork advancements energy-efficient actuators, sensors, intelligent This work might open new avenues developing crystalline materials can be implemented innovative devices operating seamlessly across various

Language: Английский

Citations

0