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首页> 美国卫生研究院文献>Molecules >Verdazyls as Possible Building Blocks for Multifunctional Molecular Materials: A Case Study on 15-Diphenyl-3-(p-iodophenyl)-verdazyl Focusing on Magnetism Electron Transfer and the Applicability of the Sonogashira-Hagihara Reaction
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Verdazyls as Possible Building Blocks for Multifunctional Molecular Materials: A Case Study on 15-Diphenyl-3-(p-iodophenyl)-verdazyl Focusing on Magnetism Electron Transfer and the Applicability of the Sonogashira-Hagihara Reaction

机译：Verdazyls可能是多功能分子材料的构建基块：以15-二苯基-3-（p-碘苯基）-verdazyl为例重点研究磁性电子转移和Sonogashira-Hagihara反应的适用性

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This work explores the use of Kuhn verdazyl radicals as building blocks in multifunctional molecular materials in an exemplary study, focusing on the magnetic and the electron transfer (ET) characteristics, but also addressing the question whether chemical modification by cross-coupling is possible. The ET in solution is studied spectroscopically, whereas solid state measurements afford information about the magnetic susceptibility or the conductivity of the given samples. The observed results are rationalized based on the chemical structures of the molecules, which have been obtained by X-ray crystallography. The crystallographically observed molecular structures as well as the interpretation based on the spectroscopic and physical measurements are backed up by DFT calculations. The measurements indicate that only weak, antiferromagnetic (AF) coupling is observed in Kuhn verdazyls owed to the low tendency to form face-to-face stacks, but also that steric reasons alone are not sufficient to explain this behavior. Furthermore, it is also demonstrated that ET reactions proceed rapidly in verdazyl/verdazylium redox couples and that Kuhn verdazyls are suited as donor molecules in ET reactions.
机译：在一项示例性研究中，这项工作探索了库恩Verdazyl自由基在多功能分子材料中作为构建基块的用途，着重于磁和电子转移（ET）特性，但也解决了通过交叉耦合进行化学修饰是否可能的问题。用光谱法研究溶液中的ET，而固态测量可提供有关给定样品的磁化率或电导率的信息。基于已经通过X射线晶体学获得的分子的化学结构，使观察结果合理化。晶体学观察到的分子结构以及基于光谱和物理测量的解释均通过DFT计算得到支持。测量结果表明，由于形成面对面堆叠的可能性较低，因此在库恩Verdazyls中仅观察到弱的反铁磁（AF）耦合，但是仅空间原因不足以解释此行为。此外，还证明了ET反应在维达唑/维达奇氧化还原对中快速进行，并且库恩维达唑适合作为ET反应中的供体分子。

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