TY - JOUR
T1 - Planar Positive–Zero–Negative Thermal Expansion Transition in Crystalline Supramolecular Rotors
AU - Ge, Siyuan
AU - Huang, Rui-Kang
AU - Wu, Jia-bing
AU - Takahashi, Kiyonori
AU - Lee, Chi Sing
AU - Nakamura, Takayoshi
N1 - Funding Information:
The authors thank Prof. Tomoyuki Akutagawa, Prof. Shin-ichiro Noro, Dr. Shun Dekura, and Dr. Xin Zheng for DSC measurements and Dr. Dong-Dong Zhou for MD simulations. This work was financially supported by JSPS KAKENHI (grant nos. JP22K1465502, JP22H00311, and JP21K14691), Iketani Science and Technology Foundation, and JSPS Joint Research Projects under the Bilateral Programs (grant no. 120197402). This work was also performed under “Crossover Alliance to Create the Future with People, Intelligence and Materials” from MEXT, Japan and the Cooperative Research Program of “Network Joint Research Center for Materials and Devices.”
Publisher Copyright:
© 2023 American Chemical Society.
PY - 2023/6/13
Y1 - 2023/6/13
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=85163191878&partnerID=8YFLogxK
U2 - 10.1021/acs.chemmater.3c00358
DO - 10.1021/acs.chemmater.3c00358
M3 - Journal article
SN - 0897-4756
VL - 35
SP - 4311
EP - 4317
JO - Chemistry of Materials
JF - Chemistry of Materials
IS - 11
ER -