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journal article·2021-03Open access

Giant and Reversible Barocaloric Effect in Trinuclear Spin‐Crossover Complex Fe3(bntrz)6(tcnset)6

Michela Romanini, YiXu Wang, Kübra Gürpinar, Gladys Ornelas, Pol Lloveras, Yan Zhang, Wenkai Zheng, Maria Barrio, Araceli Aznar, Adrià Gràcia‐Condal, Baris Emre, Orhan Atakol, Catalin Popescu, Hu Zhang, Yi Long, Luis Balicas, Josep Lluís Tamarit, Antoni Planes, Michael Shatruk, Lluís Mañosa

Advanced Materials· Volume 33· Issue 10
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Abstract

Abstract A giant barocaloric effect (BCE) in a molecular material Fe3(bntrz)6(tcnset)6 (FBT) is reported, where bntrz = 4‐(benzyl)‐1,2,4‐triazole and tcnset = 1,1,3,3‐tetracyano‐2‐thioethylepropenide. The crystal structure of FBT contains a trinuclear transition metal complex that undergoes an abrupt spin‐state switching between the state in which all three FeII centers are in the high‐spin (S = 2) electronic configuration and the state in which all of them are in the low‐spin (S = 0) configuration. Despite the strongly cooperative nature of the spin transition, it proceeds with a negligible hysteresis and a large volumetric change, suggesting that FBT should be a good candidate for producing a large BCE. Powder X‐ray diffraction and calorimetry reveal that the material is highly susceptible to applied pressure, as the transition temperature spans the range from 318 at ambient pressure to 383 K at 2.6 kbar. Despite the large shift in the spin‐transition temperature, its nonhysteretic character is maintained under applied pressure. Such behavior leads to a remarkably large and reversible BCE, characterized by an isothermal entropy change of 120 J kg−1 K−1 and an adiabatic temperature change of 35 K, which are among the highest reversible values reported for any caloric material thus far.
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Research context

OpenAlex topics: Magnetism in coordination complexes · Shape Memory Alloy Transformations · Organic and Molecular Conductors Research

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

Departament de Física de la Matèria Condensada Facultat de Física Martí i Franquès 1, Universitat de Barcelona Barcelona Catalonia 08028 Spain

Department of Chemistry and Biochemistry Florida State University Tallahassee FL 32306 USA

School of Materials Science and Engineering University of Science and Technology Beijing Beijing 100083 P. R. China

Department of Chemistry Faculty of Science Ankara University Ankara 06100 Turkey

G. W. Brackenridge High School San Antonio TX 78210 USA

Grup de Caracterització de Materials Departament de Física EEBE and Barcelona Research Center in Multiscale Science and Engineering Universitat Politècnica de Catalunya Eduard Maristany, 10‐14 Barcelona Catalonia 08019 Spain

National High Magnetic Field Laboratory Tallahassee FL 32310 USA

Department of Engineering Physics Faculty of Engineering Ankara University Ankara 06100 Turkey

CELLS‐ALBA Synchrotron Cerdanyola del Vallès Catalonia E‐08290 Spain

Funding

Ministerio de Economía y Competitividad · Deutsche Gesellschaft für Urologie · National Science Foundation · U.S. Department of Energy · Basic Energy Sciences · Türkiye Bilimsel ve Teknolojik Araştirma Kurumu · China Scholarship Council · Florida State University · National High Magnetic Field Laboratory · Universitat de Barcelona

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