Parallel and Perpendicular Packing in Mixed-Stack Cocrystals of Trimeric Perfluoro-ortho-phenylene Mercury and Benzo[1,2-b:6,5-b ']dithiophene-4,5-dione Derivatives

Castaneda Raul; Fonari Marina S.; Risko Chad; Getrnanenko Yulia A.; Timofeeva Tatiana V.

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Parallel and Perpendicular Packing in Mixed-Stack Cocrystals of Trimeric Perfluoro-ortho-phenylene Mercury and Benzo[1,2-b:6,5-b ']dithiophene-4,5-dione Derivatives

机译：三聚全氟邻苯撑汞和苯并[1,2-b：6,5-b']二噻吩-4,5-二酮衍生物的混合堆叠共晶体中的平行和垂直堆积

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Seven cocrystals derived from 2,7-substituted benzo[1,2-b:6,5-b']dithiophene-4,5-diones (BDDO) and trimeric perfluoro-o-phenylene mercury (TPPM) exhibit two prominent packing motifs: parallel mixed stacks and T-shaped columnar structures. The varied packing patterns reveal an interplay of noncovalent intermolecular interactions that depend on the nature of the BDDO 2,7-substituents and on the crystallization conditions. Quantum-chemical analyses show little charge-transfer character in the mixed-stack structures, suggesting limited electronic interaction among the mixed TPPM and BDDO constituents. The variations in molecular packing with rather minimal change in chemical structure expose the ability to fine-tune the structure of these molecular cocrystals.

机译：衍生自2,7-取代的苯并[1,2-b：6,5-b']二噻吩-4,5-二酮（BDDO）和三聚全氟-邻苯撑汞（TPPM）的七个共晶体表现出两个突出的填充图案：平行混合堆和T形柱状结构。各种堆积模式揭示了非共价分子间相互作用的相互作用，该相互作用取决于BDDO 2,7-取代基的性质和结晶条件。量子化学分析显示在混合堆栈结构中几乎没有电荷转移特性，这表明混合的TPPM和BDDO成分之间的电子相互作用有限。化学结构变化很小的分子堆积变化揭示了微调这些分子共晶体结构的能力。

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《Crystal growth & design》 |2016年第4期|共11页
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Castaneda Raul; Fonari Marina S.; Risko Chad; Getrnanenko Yulia A.; Timofeeva Tatiana V.;
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1. Parallel and Perpendicular Packing in Mixed-Stack Cocrystals of Trimeric Perfluoro-ortho-phenylene Mercury and Benzo[1,2-b:6,5-b ']dithiophene-4,5-dione Derivatives [J] . Castaneda Raul, Fonari Marina S., Risko Chad, Crystal growth & design . 2016,第4期

机译：三聚全氟邻苯撑汞和苯并[1,2-b：6,5-b']二噻吩-4,5-二酮衍生物的混合堆叠共晶体中的平行和垂直堆积
2. Mixed-stack architecture and solvatomorphism of trimeric perfluoro-ortho-phenylene mercury complexes with dithieno[3,2-b:2 ',3 '-d] thiophene [J] . Castaneda Raul, Khrustalev Victor N., Fonari Alexandr, Journal of Molecular Structure . 2015,第Null期

机译：具有二噻吩并[3,2-b：2'，3'-d]噻吩的三聚体全氟邻苯撑汞配合物的混合堆栈结构和溶剂化
3. Benzo[1,2-b:6,5-b ]dithiophene(dithiazole)-4,5-dione derivatives: synthesis, electronic properties, crystal packing and charge transportt [J] . Yulia A. Getmanenko, Marina Fonari, Chad Risko Journal of Materials Chemistry, C. materials for optical and electronic devices . 2013,第7期

机译：苯并[1,2-b：6,5-b]二噻吩（噻唑）-4,5-二酮衍生物：合成，电子性质，晶体堆积和电荷迁移
4. TEMPERATURE DEPENDENCE OF THE ELECTRICAL CONDUCTIVITY OF POLY(BENZO1,2-b:4,5-b' DITHIOPHENE-4,8-DIYL VINYLENE) AND POLY(DODECYLTHIOPHENE) [C] . Symposium on electrical, optical, and magnetic properties of organic solid-state materials . 1998

机译：聚（苯并1,2-B：4,5-B'二噻吩-4,8-二乙烯基）和聚（十二烷噻吩）的电导率的温度依赖性
5. Efficient polymer solar cells based on a new benzo[1,2-b:4,5-b ']dithiophene derivative with fluorinated alkoxyphenyl side chain [O] . Chen, Weichao, Du, Zhengkun, Han, Liangliang, 2015

机译：基于具有氟化烷氧基苯基侧链的新型苯并[1,2-b：4,5-b']二噻吩衍生物的高效聚合物太阳能电池

Parallel and Perpendicular Packing in Mixed-Stack Cocrystals of Trimeric Perfluoro-ortho-phenylene Mercury and Benzo[1,2-b:6,5-b ']dithiophene-4,5-dione Derivatives

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