RT Journal Article
T1 Giant Thermosalient Effect in a Molecular Single Crystal: Dynamic Transformations and Mechanistic Insights
A1 Uddin, Mohammad Afsar
A1 Martín, Raúl
A1 Gámez-Valenzuela, Sergio
A1 Echeverri, Marcelo
A1 Ruiz-Delgado, María del Carmen
A1 Gutiérrez Puebla, Enrique
A1 Monge, Ángeles
A1 Gómez-Lor, Berta
K1 Espectroscopia Raman
K1 Cristalografía
AB The exploration of mechanical motion in molecularcrystals under external stimuli is of great interest because of itspotential applications in diverse fields, such as electronics,actuation, or sensing. Understanding the underlying processes,including phase transitions and structural changes, is crucial forexploiting the dynamic nature of these crystals. Here, we present anovel organic compound, PT-BTD, consisting of five interconnectedaromatic units and two peripheral alkyl chains, which formscrystals that undergo a drastic anisotropic expansion (33% in thelength of one of its dimensions) upon thermal stimulation, resultingin a pronounced deformation of their crystal shape. Remarkably,the transformation occurs while maintaining the single-crystalnature, which has allowed us to follow the crystal-to-crystal transformation by single-crystal analysis of the initial and expandedpolymorphs, providing valuable insights into the underlying mechanisms of this unique thermosalient behavior. At the molecularlevel, this transformation is associated with subtle, coordinated conformational changes, including slight rotations of the fiveinterconnected aromatic units in its structure and increased dynamism in one of its peripheral alkyl chains as the temperature rises,leading to the displacement of the molecules. In situ polarized optical microscopy reveals that this transformation occurs as a rapidlyadvancing front, indicative of a martensitic phase transition. The results of this study highlight the crucial role of a soft and flexiblestructural configuration combined with a highly compact but loosely bound supramolecular structure in the design of thermoelasticmaterials.
PB American Chemical Society
YR 2024
FD 2024
LK https://hdl.handle.net/10630/41459
UL https://hdl.handle.net/10630/41459
LA eng
NO J. Am. Chem. Soc. 2024, 146, 27690−27700
NO Ministerio de Ciencia, Innovación y Universidades
NO Junta de Andalucía
NO Universidad de Málaga
DS RIUMA. Repositorio Institucional de la Universidad de Málaga
RD 24 ene 2026