Thermosalient Amphidynamic Molecular Machines: Motion at the Molecular and Macroscopic Scales
Thermosalient Amphidynamic Molecular Machines: Motion at the Molecular and Macroscopic Scales
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DOI：
10.1016/j.matt.2019.06.018
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发表时间：
2019-10-02
期刊：
影响因子：
18.9
通讯作者：
Rodriguez-Molina, Braulio
中科院分区：
文献类型：
--
作者：
Colin-Molina, Abraham;Karothu, Durga Prasad;Rodriguez-Molina, Braulio
由两个咔唑分子作为定子和一个DABCO转子组成的超分子双动转子1在316 K以上具有显著的热稳定性。在这个过程中，晶体自发地将分子位移聚集成宏观运动，这是由于相变，这是通过从100 K到320 K的单晶X射线分析来描述的。在低温相（I）中的快速旋转发生在低活化能E-a（I）约为2.6 kcal mol（-1）和指前因子A（I）约为10（12）s（-1）。在高温阶段（II）增加的腔的对称性导致较慢的动力学，不管一个较小的旋转势垒，E-a（II）0.5 kcal mol（-1），由于在指数前因子A（II）的大幅度减少约10（7）s（-1）。这些结果表明，相对较小的晶格骨架畸变导致分子和宏观尺度上的剧烈动力学效应，有助于我们理解响应性晶体材料。
The supramolecular amphidynamic rotor 1, composed of two carbazole molecules acting as the stator and a DABCO rotator, exhibits remarkable thermosahence above 316 K. During this process, the crystals spontaneously transduce collective molecular displacements into macroscopic movement due to a phase transition, which is described by single-crystal X-ray analyses from 100 K to 320 K. The fast rotation in the low-temperature phase (I) occurs with a low activation energy E-a(I) approximate to 2.6 kcal mol(-1) and a pre-exponential factor A(I) approximate to 10(12) s(-1). Increased symmetry of the cavity in the high-temperature phase (II) resulted in slower dynamics, regardless of a smaller rotational barrier, E-a(II) 0.5 kcal mol(-1), due to the large reduction in the pre-exponential factor to A(II) approximate to 10(7) s(-1). These results demonstrate that a relatively small distortion of lattice framework leads to drastic dynamic effects at both molecular and macroscopic scales, helping us to understand responsive crystalline materials.