Isothermal calorimetric titrations on charge-assisted halogen bonds: role of entropy, counterions, solvent, and temperature.
Isothermal calorimetric titrations on charge-assisted halogen bonds: role of entropy, counterions, solvent, and temperature.
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DOI：
10.1021/ja2119207
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发表时间：
2012-05
影响因子：
15
通讯作者：
S. M. Walter;Florian Kniep;L. Rout;F. Schmidtchen;E. Herdtweck;S. Huber
中科院分区：
文献类型：
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作者：
S. M. Walter;Florian Kniep;L. Rout;F. Schmidtchen;E. Herdtweck;S. Huber
我们进行了等温量热滴定，以双（碘咪唑）化合物为探针，研究阳离子双齿卤素键供体对卤化物的卤素键强度。这些数据的目的是帮助卤素键供体的合理设计，以及卤素键为基础的应用程序在解决方案的发展。在所有的情况下检查，熵的贡献，结合的整体自由能被认为是非常重要的。的结合亲和力表现出很小的依赖性弱配位抗衡阴离子的卤素键供体，但变得稍强，随着温度的升高。我们还发现了不同溶剂的相互作用强度的显着影响。本研究中检测到的最高结合常数为3.3 × 10（6）M（-1）。
We have conducted isothermal calorimetric titrations to investigate the halogen-bond strength of cationic bidentate halogen-bond donors toward halides, using bis(iodoimidazolium) compounds as probes. These data are intended to aid the rational design of halogen-bond donors as well as the development of halogen-bond-based applications in solution. In all cases examined, the entropic contribution to the overall free energy of binding was found to be very important. The binding affinities showed little dependency on the weakly coordinating counteranions of the halogen-bond donors but became slightly stronger with higher temperatures. We also found a marked influence of different solvents on the interaction strength. The highest binding constant detected in this study was 3.3 × 10(6) M(-1).