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首页> 外文期刊>Crystal growth & design >A Donor-Acceptor-Donor Structured Organic Conductor with S···S Chalcogen Bonding
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A Donor-Acceptor-Donor Structured Organic Conductor with S···S Chalcogen Bonding

机译：具有S···硫族硫键的施主-受主-施主结构有机导体

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摘要

A novel thiophene derivative 7,9-di(thiophen-2-yl)-8Hcyclopenta[ a]acenaphthylen-8-one (DTCPA) is shown to exhibit high electrical conductivity (1.97 × 10~(-2) ± 0.0018 S/cm at RT) in the crystalline state. The material shows two orders of increase in conductivity from normal solid to single crystalline state. The crystal structure has S···S chalcogen bonding, C-H···O hydrogen bonding, and π···π stacking as the major intermolecular interactions. The nature and strength of the S···S interactions in this structure have been evaluated by theoretical charge density analysis, and its contribution to the crystal packing quantified by Hirshfeld surface analysis. Further, thermal and morphological characterizations have been carried out, and the second harmonic generation (SHG) efficiency has been measured using the Kurtz-Perry method.
机译：新型噻吩衍生物7,9-二（噻吩-2-基）-8H环戊[a] ac萘-8-一（DTCPA）具有较高的电导率（1.97×10〜（-2）±0.0018 S / cm在室温下）处于结晶状态。该材料显示出从正常固态到单晶态的电导率增加了两个数量级。晶体结构具有S··S硫族键，C-H··O氢键和π··π堆积作为主要的分子间相互作用。通过理论电荷密度分析评估了该结构中S···S相互作用的性质和强度，并通过Hirshfeld表面分析定量了其对晶体堆积的贡献。此外，已经进行了热学和形态学表征，并且已经使用Kurtz-Perry方法测量了二次谐波产生（SHG）效率。

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