Tadpole-Like Polar Molecule Encapsulated in a Two-in-One Supramolecular Cage: Molecular Motion, Phase Transition and Ferroelectricity

• Published in: Journal of the American Chemical Society Vol. 146; no. 33; pp. 22893 - 22898
• Main Authors: Sheng, Lin-Yong, Han, Ding-Chong, Huang, Rui-Kang, Cao, Li-Ming, He, Chun-Ting, Du, Zi-Yi, Nakamura, Takayoshi
• Format: Journal Article
• Language: English
• Published: United States American Chemical Society 21.08.2024; American Chemical Society (ACS)
• Subjects: encapsulation; molecular dynamics; phase transition; temperature
• ISSN: 0002-7863; 1520-5126; 1520-5126
• DOI: 10.1021/jacs.4c06859

Molecule-inclusive closed cage compounds present a unique platform for molecular motion in an isolated environment. This study showcases the incorporation of a tadpole-like polar molecule (1-propyl-1H-imidazole, PIm) into a supramolecular cage formed by duad semicage p-tert-butylcalix­[4]­arene. The ferroelectric phase transition as well as the cage-confined motion of encapsulated PIm was studied in detail. The unusual quadrastable state of the PIm in the paraelectric phase allows for the modulation of dipolar polarization over a broad temperature/frequency range. This compound represents the first example of a clathrate molecular ferroelectric featuring a molecule-inclusive supramolecular cage, and it also contributes to the understanding of cage-confined molecular dynamics.