Static Modulation Wave of Arrays of Halogen Interactions Transduced to a Hierarchy of Nanoscale Change Stimuli of Crystalline Rotors Dynamics
Static Modulation Wave of Arrays of Halogen Interactions Transduced to a Hierarchy of Nanoscale Change Stimuli of Crystalline Rotors Dynamics
复制标题
卤素相互作用阵列的静态调制波转换为晶体转子动力学纳米级变化刺激的层次结构
DOI：
10.1021/acs.nanolett.8b00956
复制
发表时间：
2018
期刊：
影响因子：
10.8
通讯作者：
Batail, Patrick
中科院分区：
文献类型：
--
作者：
Simonov, Sergey;Zorina, Leokadiya;Wzietek, Pawel;Rodríguez-Fortea, Antonio;Canadell, Enric;Mézière, Cécile;Bastien, Guillaume;Lemouchi, Cyprien;Garcia-Garibay, Miguel A.;Batail, Patrick
在105 K相变温度下，1，4-双（（4′-（碘乙炔基）苯基）乙炔基）双环[2，2，2]辛烷晶体转子中的四个连续相互作用碘原子阵列构成的静态调制波使非对称单元的结构从半分子变为三分子半。值得注意的发现是，迄今为止在分子转子中前所未有的复杂性的总1H自旋-晶格弛豫速率T1-1是四个贡献转子弛豫速率的弛豫速率的加权和，每个转子弛豫速率具有可区分的交换频率，其反映了具有不同激活势垒（Ea）和尝试频率（τo-1）的Arrhenius参数。这使我们能够与转子-环境相互作用能计算一起显示分子转子的动力学如何能够以显着的纳米级精度从周围环境中解码结构信息。
Here we present a study where what can be seen as a static modulation wave encompassing four successive arrays of interacting iodine atoms in crystalline 1,4-Bis((4′-(iodoethynyl)phenyl) ethynyl)bicyclo[2,2,2]octane rotors changes the structure from one-half molecule to three-and-a-half molecules in the asymmetric unit below a phase transition at 105 K. The remarkable finding is that the total1H spin–lattice relaxation rate, T1–1, of unprecedented complexity to date in molecular rotors, is the weighted sum of the relaxation rates of the four contributing rotors relaxation rates, each with distinguishable exchange frequencies reflecting Arrhenius parameters with different activation barriers (Ea) and attempt frequencies (τo–1). This allows us to show in tandem with rotor-environment interaction energy calculations how the dynamics of molecular rotors are able to decode structural information from their surroundings with remarkable nanoscale precision.