Understanding Charge-Transfer Interaction Mode in Cocrystals and Solvates of 1-Phenyl-3-(pyren-1-yl) Prop-2-en-1-one and TCNQ

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• 作者：Hao Sun ; Mingliang Wang ; Xiang Wei ; Ruimin Zhang ; Shengzhi Wang ; Arshad Khan ; Rabia Usman ; Qi Feng ; Man Du ; Fangfang Yu ; Wei Zhang ; Chunxiang Xu
• 刊名：Crystal Growth & Design
• 出版年：2015
• 出版时间：August 5, 2015
• 年：2015
• 卷：15
• 期：8
• 页码：4032-4038
• 全文大小：415K
• ISSN：1528-7505

文摘

Three binary charge-transfer cocrystals (I, II, and III) and ten cocrystal solvates (IV(1)鈥揑V(10)) were prepared in different solvents, involving 1-phenyl-3-(pyren-1-yl) prop-2-en-1-one (PPPO) as electron donor (D) and 7,7,8,8-tetracyanoquinodimethane (TCNQ) as electron acceptor (A). X-ray diffraction data, vibrational spectroscopy, thermal behaviors, and diffuse reflectance absorption spectroscopy were exploited to investigate their structures. The different charge-transfer interaction mode and molar ratio between donor and acceptor in these crystals can be affected by the change of solvents. In addition, PPPO and TCNQ can selectively accommodate aromatic solvents relative to other solvents except methanol to form an isostructural microporous framework with solvent residing in the channels. These results demonstrate that these crystals can have potential applications in purification and separation of aromatic hydrocarbons.