Hino Yuto, Matsuo Takumi, Hayashi Shotaro
School of Environmental Science and Engineering, Kochi University of Technology, 185 Tosayamada Miyanokuchi, Kami, Kochi, 782-8502, Japan.
Research Center for Molecular Design, Kochi University of Technology, 185 Tosayamada Miyanokuchi, Kami, Kochi, 782-8502, Japan.
Chempluschem. 2022 Jun 7;87(9):e202200157. doi: 10.1002/cplu.202200157.
Anthracene (C H ) and its derivatives, π-conjugated molecules in acenes, have been widely researched in terms of their reactions, physical properties, and self-assembly (or crystal engineering). These molecules can be functionalized to tune reactivities, optoelectronic properties, and self-assembling abilities. Structural changes in the molecular assemblies, solid states, and crystals have recently been discovered. Therefore, a systematic discussion of anthracene's molecular structure, packing, and optical properties based on its intermolecular structure and phase transitions is important for future chemical and structural design. In the present review, we discuss anthracene's molecular design, dimer packing, and crystal structure, focusing on the structural phase transitions of its crystals. We also provide examples of the phase transitions of anthracene crystals. Changes to edge-to-face of CH-π interaction and face-to-face packing of π-π interaction affect the thermodynamic stabilities of various crystal structures. These structures can inform the prediction of structural and physical properties.
蒽（C₁₄H₁₀）及其衍生物，即并苯中的π共轭分子，在其反应、物理性质和自组装（或晶体工程）方面已得到广泛研究。这些分子可以进行功能化修饰，以调节反应活性、光电性质和自组装能力。最近发现了分子聚集体、固态和晶体中的结构变化。因此，基于蒽的分子间结构和相变，对其分子结构、堆积和光学性质进行系统讨论，对于未来的化学和结构设计具有重要意义。在本综述中，我们讨论蒽的分子设计、二聚体堆积和晶体结构，重点关注其晶体的结构相变。我们还提供了蒽晶体相变的实例。CH-π相互作用的边对面变化和π-π相互作用的面对面堆积会影响各种晶体结构的热力学稳定性。这些结构有助于预测结构和物理性质。
