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

• 作者: 李业新 陈志
• 来源期刊: 结构化学
• 学科: 化学
• 关键词: 二苯并噻吩 分子堆积 晶体化合物 调制 封端 材料 基础 相互作用
• 年，卷（期）: 2012,（1）
• 页码范围: 45-50
• 页数: 6页
• 分类号: O626.13|TE624.1
• 语种: 英文

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）.