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首页> 外文期刊>Crystal growth & design >Stronger π···π Interaction Leads to a Smaller Thermal Expansion in Some Charge Transfer Complexes
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Stronger π···π Interaction Leads to a Smaller Thermal Expansion in Some Charge Transfer Complexes

机译：更强的π···π相互作用导致一些电荷转移复合物中的较小的热膨胀

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src="http://pubs.acs.org/appl/literatum/publisher/achs/journals/content/cgdefu/2018/cgdefu.2018.18.issue-1/acs.cgd.7b01502/20171227/images/medium/cg-2017-015027_0007.gif">Crystal structures and thermal expansion properties have been studied for hexamethylbenzene (HMB), picric acid (PIC), tetracyanobenzene (TCB), HMB–PIC complex, and HMB–TCB complex. HMB–PIC and HMB–TCB form charge transfer complexes in the solid state as well as in solution. From the UV–vis spectroscopy study, it has been found that HMB–TCB forms a stronger π···π complex than HMB–PIC. On the other hand, HMB, in its crystal structure, forms a very weak π···π stacking interaction. A thermal expansion study shows that thermal expansion along the stacking direction is highest in HMB, which is followed by HMB–PIC and then by HMB–TCB complexes. Therefore, this study shows that stronger π···π stacking interaction leads to a weaker thermal expansion in the materials.
机译：src =“http://pubs.acs.org/appl/literatum/publisher/achs/journals/content/cgdefu/2018/cgdefu.2018.18.issue-1/acs.cgd.7b01502/20171227/images/medium 已经研究了六甲基苯（HMB），苦己（PIC），四环苯（TCB），HMB-PIC复合物和HMB-TCB复合物研究过的Etcrystal结构和热膨胀性能。 HMB-PIC和HMB-TCB在固态以及溶液中形成电荷转移复合物。 从UV-Vis光谱研究中，已经发现HMB-TCB形成比HMB-PIC更强的π·π复合物。 另一方面，HMB在其晶体结构中形成非常弱的π··π堆叠相互作用。 热膨胀研究表明，沿堆叠方向的热膨胀在HMB中最高，其次是HMB-PIC，然后通过HMB-TCB复合物。 因此，该研究表明，π···π堆叠相互作用较强，导致材料中的热膨胀较弱。

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