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Solid-State Dynamics and High-Pressure Studies of a Supramolecular Spiral Gear.
Chemistry - A European Journal ( IF 3.9 ) Pub Date : 2020-03-25 , DOI: 10.1002/chem.201905744
Luca Fornasari 1 , Anna Olejniczak 2 , Federica Rossi 3 , Simone d'Agostino 1 , Michele R Chierotti 3 , Roberto Gobetto 3 , Andrzej Katrusiak 2 , Dario Braga 1
Affiliation  

The structures and solid-state dynamics of the supramolecular salts of general formula [(12-crown-4) 2 ∙DABCOH 2 ](X) 2 (where X=BF 4 , ClO 4 ) have been investigated as a function of temperature (from 100 K to 360 K) and pressure (up to 3.4 GPa), through the combination of variable temperature and variable pressure XRD techniques and variable temperature solid-state NMR spectroscopy. The two salts are isomorphous and crystallize in the enantiomeric space groups P3 2 2 1 and P3 1 2 1 . All building blocks composing the supramolecular complex display dynamic processes at ambient temperature and pressure. It has been demonstrated that the motion of the crown ethers is maintained on lowering the temperature (down to 100 K) or on increasing the pressure (up to 1.5 GPa) thanks to the correlation between neighboring molecules that mesh and rotate in a concerted manner similarly to spiral gears. Above 1.55 GPa, a collapse-type transition to a lower-symmetry ordered structure, not attainable at a temperature of 100K, takes place, proving, thus, that the pressure acts like the means to couple and decouple the gears. The relationship between temperature and pressure effects on molecular motion in the solid state has also been discussed.

中文翻译:

超分子螺旋齿轮的固态动力学和高压研究。

研究了通式[(12-cro-4)2∙DABCOH 2](X)2(其中X = BF 4,ClO 4)随温度的函数的超分子盐的结构和固态动力学(通过将可变温度和可变压力XRD技术与可变温度固态NMR光谱相结合,可在100 K至360 K的压力和高达3.4 GPa的压力下进行测量。这两种盐是同晶的,并且在对映体空间群P3 2 2 1和P3 1 2 1中结晶。构成超分子复合物的所有构件在环境温度和压力下均显示出动态过程。已经证明,在降低温度(降低到100 K)或增加压力(达到1)时,冠醚的运动得以保持。5 GPa)得益于相邻分子之间的相关性,这些相邻分子以类似于螺旋齿轮的协调方式啮合并旋转。高于1.55 GPa时,会发生坍塌型过渡到低对称有序结构的情况,这种结构在100K的温度下无法达到,因此证明了压力的作用类似于齿轮的耦合和解耦。还讨论了温度和压力对固态分子运动的影响之间的关系。
更新日期:2020-03-27
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