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End-capped Thiophene Modulated Molecular Packing in 2,8-Dibenzothiophene-based Materials:from Face-to-face to Edge-to-face Stacking

End-capped Thiophene Modulated Molecular Packing in 2,8-Dibenzothiophene-based Materials:from Face-to-face to Edge-to-face Stacking
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摘要 Two new organic crystals of 2,8-bisthienyldibenzothiophene（BTDT） and 2,8-bis-dithienyldibenzothiophene（BDTDT） compounds were successfully obtained.The change of end-capped group from thiophene to dithiophene causes big differences in molecular packing and carrier-transport property.The adjacent molecules of compound BTDT adopt face-to-face π stacking and exhibit two-dimensional interchain interactions.On the contrary,BDTDT molecules are arranged in an edge-to-face motif and show mainly one-dimensional interacting character.The packing mode exerts dramatic effect on the carrier-transport property.The crystal of BTDT belongs to the orthorhombic system,space group P21212 with a = 20.1427（11）,b = 4.6016（3）,c = 8.6340（5） ,V = 800.27（8） 3,Z = 2,Dc = 1.446 g/cm3,F（000） = 360,S = 1.019,the final R = 0.0491 and wR = 0.0960 for 1605 reflections with I 2σ（I）.The crystal of BDTDT belongs to the orthorhombic system,space group P212121 with a = 7.2636（15）,b = 25.359（5）,c = 25.359 ？,V = 4670.9（14） ？3,Z = 8,Dc = 1.458 g/cm3,F（000） = 2112,S = 0.880,the final R = 0.0597 and wR = 0.1318 for 8047 reflections with I 2σ（I）. Two new organic crystals of 2,8-bisthienyldibenzothiophene（BTDT） and 2,8-bis-dithienyldibenzothiophene（BDTDT） compounds were successfully obtained.The change of end-capped group from thiophene to dithiophene causes big differences in molecular packing and carrier-transport property.The adjacent molecules of compound BTDT adopt face-to-face π stacking and exhibit two-dimensional interchain interactions.On the contrary,BDTDT molecules are arranged in an edge-to-face motif and show mainly one-dimensional interacting character.The packing mode exerts dramatic effect on the carrier-transport property.The crystal of BTDT belongs to the orthorhombic system,space group P21212 with a = 20.1427（11）,b = 4.6016（3）,c = 8.6340（5） ,V = 800.27（8） 3,Z = 2,Dc = 1.446 g/cm3,F（000） = 360,S = 1.019,the final R = 0.0491 and wR = 0.0960 for 1605 reflections with I 2σ（I）.The crystal of BDTDT belongs to the orthorhombic system,space group P212121 with a = 7.2636（15）,b = 25.359（5）,c = 25.359 ？,V = 4670.9（14） ？3,Z = 8,Dc = 1.458 g/cm3,F（000） = 2112,S = 0.880,the final R = 0.0597 and wR = 0.1318 for 8047 reflections with I 2σ（I）.
作者 李业新 陈志
机构地区 School of Chemistry and Chemical Engineering
出处 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2012年第1期45-50,共6页 结构化学（英文）
基金 supported by the Natural Science Foundation of Shandong Province (ZR2011EMQ007) the Doctoral Foundation of Jinan University (XBS1048)
关键词 DIBENZOTHIOPHENE crystal structure molecular packing organic field-effect transistor dibenzothiophene crystal structure molecular packing organic field-effect transistor
分类号 O734 [理学—晶体学]
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参考文献17

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Chinese Journal of Structural Chemistry
2012年 第1期

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