Planar Positive–Zero–Negative Thermal Expansion Transition in Crystalline Supramolecular Rotors

Siyuan Ge, Rui-Kang Huang*, Jia-bing Wu, Kiyonori Takahashi, Chi Sing Lee*, Takayoshi Nakamura*

*Corresponding author for this work

Research output: Contribution to journalJournal articlepeer-review

3 Citations (Scopus)


Zero thermal expansion materials are crucial for manufacturing high-precision devices, but most of these materials discovered so far are inorganic. Organic zero thermal expansion materials are rare due to the need for precise control over the complex supramolecular interactions between organic groups in order to modulate their thermal expansion properties. Here, we report a novel organic crystalline supramolecular rotor, [(3-chloro-1-adamantylammonium)(18-crown-6)]ClO4, which exhibits planar positive–zero–negative thermal expansion along the a- and c-axes, with zero thermal expansion behavior in the range of 250–317 K. X-ray single-crystal structures, differential scanning calorimetry (DSC) measurements, and molecular dynamics simulations disclosed that such unique transition in thermal expansion results from the static–swing–rotation transition of 18-crown-6 in the crystal structure.
Original languageEnglish
Pages (from-to)4311-4317
Number of pages7
JournalChemistry of Materials
Issue number11
Early online date23 May 2023
Publication statusPublished - 13 Jun 2023

Scopus Subject Areas

  • Materials Chemistry
  • Chemical Engineering(all)
  • Chemistry(all)


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