Watcharatpong Teerat, Pila Taweesak, Maihom Thana, Ogawa Tomohiro, Kurihara Takuya, Ohara Koji, Inoue Tadashi, Tabe Hiroyasu, Wei Yong-Sheng, Kongpatpanich Kanokwan, Horike Satoshi
Department of Materials Science and Engineering, School of Molecular Science and Engineering, Vidyasirimedhi Institute of Science and Technology Rayong 21210 Thailand
Department of Chemistry, Faculty of Liberal Arts and Science, Kasetsart University Kamphaengsaen Campus Nakhon Pathom 73410 Thailand.
Chem Sci. 2022 Sep 12;13(38):11422-11426. doi: 10.1039/d2sc03223f. eCollection 2022 Oct 5.
The structure of the melt state of one-dimensional (1D) coordination polymer crystal Cu(isopropylimidazolate) (melting temperature = 143 °C) was characterized by DSC, variable temperature PXRD, solid-state NMR (SSNMR), viscoelastic measurements, XAS, and DFT-AIMD calculations. These analyses suggested "coordination polymer-forming liquid" formation with preserved coordination bonds above . Variable chain configurations and moderate cohesive interaction in adjacent chains are the keys to the rarely observed polymer-forming liquid. The melt structure is reminiscent of the common 1D organic polymer melts such as entanglement or random coil structures.
通过差示扫描量热法（DSC）、变温粉末X射线衍射（PXRD）、固态核磁共振（SSNMR）、粘弹性测量、X射线吸收光谱（XAS）和密度泛函理论-从头算分子动力学（DFT-AIMD）计算对一维（1D）配位聚合物晶体Cu（异丙基咪唑）（熔点 = 143 °C）的熔融态结构进行了表征。这些分析表明，在熔点以上形成了具有保留配位键的“配位聚合物形成液体”。可变的链构型和相邻链之间适度的内聚相互作用是很少观察到的聚合物形成液体的关键。熔体结构让人联想到常见的一维有机聚合物熔体，如缠结或无规卷曲结构。
