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Intermolecular Forces Regulating the Phase-Transition Temperatures in Organic–Inorganic Hybrid Materials

Jian Chen, Xiang Zhang, Zhuoer Cai, Yinan Zhang, Qi Song, Xiu‐Ni Hua, Bai‐Wang Sun

2024Inorganic Chemistry10 citationsDOI

Abstract

Organic–inorganic hybrid phase-transition materials have attracted widespread attention in energy storage and sensor applications due to their structural adaptability and facile synthesis. However, increasing the phase-transition temperature ( T c ) effectively remains a formidable challenge. In this study, we employed a strategy to regulate intermolecular interactions (different types of hydrogen bonds and other weak interactions), utilizing bismuth chloride as an inorganic framework and azetidine, 3,3-difluoro azetidine, and 3-carboxyl azetidine as organic components to synthesize three compounds with different T c values: [C 3 H 8 N] 2 BiCl 5 ( 1, 234 K), [C 3 H 6 NF 2 ] 3 BiCl 6 ( 2, 256 K), and [C 4 H 8 O 2 N] 3 BiCl 6 ( 3, 350 K). 1 is a one-dimensional chain structure and 2 and 3 are zero-dimensional structures. Analysis of the crystal structure and the Hirshfeld surface and 2D fingerprints further suggests that the intermolecular forces are efficiently modulated. These findings emphasize the efficacy of our strategy in enhancing T c and may facilitate further research in this area.

Topics & Concepts

ChemistryIntermolecular forceAzetidinePhase transitionHydrogen bondPhase (matter)Chemical physicsCrystal structureCrystallographyMoleculeStereochemistryOrganic chemistryThermodynamicsPhysicsPerovskite Materials and ApplicationsSolid-state spectroscopy and crystallographyThermal Expansion and Ionic Conductivity