Crystal Growth, Dynamic and Charge Transfer Properties of New Coronene Charge Transfer Complexes
Crystal Growth, Dynamic and Charge Transfer Properties of New Coronene Charge Transfer Complexes
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DOI：
10.1021/acs.cgd.5b01301
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发表时间：
2016-01-01
影响因子：
3.8
通讯作者：
Knupfer, Martin
中科院分区：
文献类型：
--
作者：
Kataeva, Olga;Khrizanforov, Mikhail;Knupfer, Martin
采用晶体生长法从溶液和气相中合成了两种新的晕苯电荷转移配合物，它们与F-4-TCNQ的化学计量比分别为2：1和1：1：1（溶剂合乙腈，MeCN）。结果表明，晕苯分子在晶体中的迁移率更受其周围的不对称性的影响，而不是由组成和程度的电荷转移和层间相互作用。结合X射线衍射和电化学在固态和时间分辨的一个在溶液中，使我们能够澄清在溶液中的成核，表明2：1的晕苯/F-4-TCNQ复合物的形成是化学上优选的。原始晕苯的X射线单晶数据显示其晶体结构与环境温度下相同，这对先前报道的140 - 180 K相变提出了质疑。
Two new coronene charge transfer complexes with F-4-TCNQ of 2:1 and 1:1:1 (solvate with acetonitrile, MeCN) stoichiometry were obtained using crystal growth procedures from the solution and vapor phase. It was shown that mobility of coronene molecules in crystals is more affected by the asymmetry of its surrounding than by the composition and degree of charge transfer and interstack interactions. The combination of X-ray diffraction and electrochemistry in the solid state and a time-resolved one in solution allowed us to clarify the nucleation in solution showing that the formation of 2:1 coronene/F-4-TCNQ complexes is thermodynamically preferable. The X-ray single crystal data for pristine coronene showed the crystal structure to be the same as at ambient temperature, raising doubt about the previously reported phase transitions 140-180 K.