Impacts of Stereoisomerism on Molecular Packing and Charge Transport of Imide-Fused Corannulene Derivatives

Lu Ru-Qiang; Liu Yuxiu; Wu Shuang; Saha Mithu; Qu Hang; Chen Rui; Yang Lin-Lin; Wang Xiao-Ye; Wang Yuchen; Weng Wengui; Zhao Yi; Cao Xiaoyu

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Impacts of Stereoisomerism on Molecular Packing and Charge Transport of Imide-Fused Corannulene Derivatives

机译：立体异构化对酰亚胺稠合量衍生物分子包装和电荷传输的影响

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Two chiral tertiary carbon centers bearing one mesityl group at each center are introduced into the molecular backbone of imide-fused corannulene derivatives to produce four stereoisomers (i.e., (S, S), (R, R), (R, S), or (S, R) configurations on two chiral carbons) in one pot, which are separated into two portions through column chromatography over silica gel. Portion 1, containing a pair of enantiomers ((S, S) and (R, R)), adopts layered packing in the crystal. Portion 2, consisting of a pair of mesomers ((R, S) and (S, R)), exhibits columnar packing in their cocrystal. Theoretical calculations are performed on these two packing motifs, revealing that Portion 1 displays hole-dominated transport, whereas Portion 2 shows electron-dominated transport.

机译：在每个中心携带一个含有一个千分之一的碳中心的手性叔碳中心被引入酰亚胺熔融的磺酰硫代喹啉衍生物的分子骨架中以产生四种立体异构体（即（S，S），（R，R），（R，S）或（S，R）在一个罐中的两个手性碳的配置，通过硅胶柱色谱分离成两部分。含有一对对映体的部分1（（s，s）和（r，r）），采用层状填料在晶体中。由一对脱臼（（R，S）和（S，R））组成的部分2在其Cocrystal中表现出柱状填料。在这两个包装基序中进行理论计算，揭示了部分1显示孔主导的运输，而部分2示出了电子主导的运输。

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《Crystal growth & design》 |2018年第8期|共5页
作者
Lu Ru-Qiang; Liu Yuxiu; Wu Shuang; Saha Mithu; Qu Hang; Chen Rui; Yang Lin-Lin; Wang Xiao-Ye; Wang Yuchen; Weng Wengui; Zhao Yi; Cao Xiaoyu;
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Xiamen Univ Coll Chem &

Chem Engn State Key Lab Phys Chem Solid Surfaces Dept Chem Collaborat Innovat Ctr Chem Energy Mat Xiamen 361005 Peoples R China;

Xiamen Univ Coll Chem &

Chem Engn State Key Lab Phys Chem Solid Surfaces Dept Chem Collaborat Innovat Ctr Chem Energy Mat Xiamen 361005 Peoples R China;

Xiamen Univ Coll Chem &

Chem Engn State Key Lab Phys Chem Solid Surfaces Dept Chem Collaborat Innovat Ctr Chem Energy Mat Xiamen 361005 Peoples R China;

Xiamen Univ Coll Chem &

Chem Engn State Key Lab Phys Chem Solid Surfaces Dept Chem Collaborat Innovat Ctr Chem Energy Mat Xiamen 361005 Peoples R China;

Xiamen Univ Coll Chem &

Chem Engn State Key Lab Phys Chem Solid Surfaces Dept Chem Collaborat Innovat Ctr Chem Energy Mat Xiamen 361005 Peoples R China;

Xiamen Univ Coll Chem &

Chem Engn State Key Lab Phys Chem Solid Surfaces Dept Chem Collaborat Innovat Ctr Chem Energy Mat Xiamen 361005 Peoples R China;

Xiamen Univ Coll Chem &

Chem Engn State Key Lab Phys Chem Solid Surfaces Dept Chem Collaborat Innovat Ctr Chem Energy Mat Xiamen 361005 Peoples R China;

Max Planck Inst Polymer Res Ackermannweg 10 D-55128 Mainz Germany;

Xiamen Univ Coll Chem &

Chem Engn State Key Lab Phys Chem Solid Surfaces Dept Chem Collaborat Innovat Ctr Chem Energy Mat Xiamen 361005 Peoples R China;

Xiamen Univ Coll Chem &

Chem Engn State Key Lab Phys Chem Solid Surfaces Dept Chem Collaborat Innovat Ctr Chem Energy Mat Xiamen 361005 Peoples R China;

Xiamen Univ Coll Chem &

Chem Engn State Key Lab Phys Chem Solid Surfaces Dept Chem Collaborat Innovat Ctr Chem Energy Mat Xiamen 361005 Peoples R China;

Xiamen Univ Coll Chem &

Chem Engn State Key Lab Phys Chem Solid Surfaces Dept Chem Collaborat Innovat Ctr Chem Energy Mat Xiamen 361005 Peoples R China;

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中图分类晶体学;
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Impacts of Stereoisomerism on Molecular Packing and Charge Transport of Imide-Fused Corannulene Derivatives

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