The Power of Packing: Metallization of an Organic Semiconductor

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• 作者：Aaron Mailman ; Alicea A. Leitch ; Wenjun Yong ; Eden Steven ; Stephen M. Winter ; Robert C. M. Claridge ; Abdeljalil Assoud ; John S. Tse ; Serge Desgreniers ; Richard A. Secco ; Richard T. Oakley
• 刊名：Journal of the American Chemical Society
• 出版年：2017
• 出版时间：February 15, 2017
• 年：2017
• 卷：139
• 期：6
• 页码：2180-2183
• 全文大小：415K
• ISSN：1520-5126

文摘

Benzoquino-bis-1,2,3-dithiazole 5 is a closed shell, antiaromatic 16π-electron zwitterion with a small HOMO–LUMO gap. Its crystal structure consists of planar ribbon-like molecular arrays packed into offset layers to generate a “brick-wall” motif with strong 2D interlayer electronic interactions. The spread of the valence and conduction bands, coupled with the narrow HOMO–LUMO gap, affords a small band gap semiconductor with σ_RT = 1 × 10^–3 S cm^–1 and E_act = 0.14 eV for transport within the brick-wall arrays. Closure of the band gap to form an all-organic molecular metal with σ_RT > 10¹ S cm^–1 can be achieved by the application of pressure to 8 GPa.