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首页> 外文期刊>Journal of chemical crystallography >Identification and Analysis of a 2:1 Monoclinic Phase for the Organic Donor–Acceptor Complex o-Me_2TTF-TCNB: Structural and Spectroscopic Studies of a New Solid State Configuration
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Identification and Analysis of a 2:1 Monoclinic Phase for the Organic Donor–Acceptor Complex o-Me_2TTF-TCNB: Structural and Spectroscopic Studies of a New Solid State Configuration

机译：有机供体-受体复合物o-Me_2TTF-TCNB的2：1单斜晶相的鉴定和分析：一种新型固态构型的结构和光谱研究

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摘要

In this communication, we present the single crystal X-ray structure and spectroscopic properties for a newly discovered 2:1 phase for the organic donor–acceptor complex o-Me_2TTF-TCNB. This new phase crystallizes in the monoclinic space group P2_1 with a = 7.6846(17) ?, b = 19.8987(19) ?, c = 9.1844(8) ?and β = 91.955(7)°. Valence sensitive bond distances, specifically the central C=C bond and four ancillary C–S bonds in o-Me_2TTF and the cyanide groups of TCNB were compared to those from the free components and suggested that both the donor and acceptor molecules remained neutral in the complex. Additionally, infrared spectroscopymeasurementswere conducted and the corresponding vibrational frequencies for selected bands from the donor and acceptor molecules further support the hypothesis that neutral molecules were present.
机译：在本文中，我们介绍了有机供体-受体复合物o-Me_2TTF-TCNB的新发现的2：1相的单晶X射线结构和光谱性质。该新相在单斜空间群P2_1 / n中结晶，其a = 7.6846（17），b = 19.8987（19），c = 9.1844（8），β= 91.955（7）°。对价敏感键的距离，特别是o-Me_2TTF和TCNB的氰化物基团中的中心C = C键和四个辅助C–S键与游离成分的键距进行了比较，表明供体和受体分子在分子中均保持中性。复杂。另外，进行了红外光谱测量，并且来自供体和受体分子的选定谱带的相应振动频率进一步支持了存在中性分子的假设。

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