Crystal Growth & Design
Crystal Growth & Design
5 years ago

Reversible Thermosalient Effect of N′-2-Propylidene-4-hydroxybenzohydrazide Accompanied by an Immense Negative Compressibility: Structural and Theoretical Arguments Aiming toward the Elucidation of Jumping Phenomenon

Reversible Thermosalient Effect of N′-2-Propylidene-4-hydroxybenzohydrazide Accompanied by an Immense Negative Compressibility: Structural and Theoretical Arguments Aiming toward the Elucidation of Jumping Phenomenon
Ivor Lončarić, Sanja Burazer, Vito Despoja, Željko Skoko, Dean Popović, Ivan Grgičević, Jasminka Popović
Reversible thermosalient phase transition of N′-2-propylidene-4-hydroxybenzohydrazide between polymorphic Form II and Form III is preceded by the extremely large uniaxial negative thermal expansion (NTE). Thermosalient effect is escorted by the springlike behavior of the zig-zag molecular assemblies along the c axis. DFT calculations show that NTE arises from the elastic properties of the crystal which shows colossal uniaxial negative compressibility.

Publisher URL: http://dx.doi.org/10.1021/acs.cgd.7b00785

DOI: 10.1021/acs.cgd.7b00785

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