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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 |
| LI Ye-Xin;CHEN Zhi |
| School of Chemistry and Chemical Engineering,University of Jinan |
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Abstract Two new organic crystals of 2,8-bisthienyldibenzothiophene (BTDT) and 2,8-bisdithienyldibenzothiophene (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 arrange 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) Å, V = 800.27(8) Å3, 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 Å, V = 4670.9(14) Å3, 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)
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Received: 14 March 2011
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Corresponding Authors:
LI Xiao-Ming
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2012, Vol. 31 
