Issue 15, 2025

Guest molecule dynamics and ferroelectric transition in a clathrate compound

Abstract

Low molecular weight glass formers encapsulated within clathrate structures offer a singular testground to study the intricate interplay of confined molecular motion and ferroelectric properties. Using broadband dielectric spectroscopy (BDS), we investigate the dynamic behavior of 1-propyl-1H-imidazole within a supramolecular enclosure formed by duad semicage p-tert-butylcalix[4]arene. Unlike the bulk liquid, where the dielectric spectrum is dominated by the structural relaxation, the clathrates paraelectric phase reveals two distinct molecular relaxation processes. Aided by quantum chemical calculations, the slow process is assigned to head-to-tail reorientations of the guest molecule, while the faster process arises from intramolecular fluctuations of the imidazole ring. These dynamics freeze as the system transitions to the ferroelectric state via a second-order phase change that has been characterized by photopyroelectric calorimetry.

Graphical abstract: Guest molecule dynamics and ferroelectric transition in a clathrate compound

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Article information

Article type
Paper
Submitted
09 Jan 2025
Accepted
25 Mar 2025
First published
26 Mar 2025
This article is Open Access
Creative Commons BY-NC license

Phys. Chem. Chem. Phys., 2025,27, 7833-7839

Guest molecule dynamics and ferroelectric transition in a clathrate compound

A. Erkoreka, Z. Du, A. Oleaga, R. Huang and J. Martinez-Perdiguero, Phys. Chem. Chem. Phys., 2025, 27, 7833 DOI: 10.1039/D5CP00100E

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