A Bimodal Oxobenzene-bridged Bisdithiazolyl Radical Conductor

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• 作者：Xin Yu ; Aaron Mailman ; Kristina Lekin ; Abdeljalil Assoud ; Paul A. Dube ; Richard T. Oakley
• 刊名：Crystal Growth & Design
• 出版年：2012
• 出版时间：May 2, 2012
• 年：2012
• 卷：12
• 期：5
• 页码：2485-2494
• 全文大小：616K
• 年卷期：v.12,no.5(May 2, 2012)
• ISSN：1528-7505

文摘

The preparation and structural characterization of the methyl-substituted oxobenzene-bridged bisdithiazolyl radical 3b is described. Crystals of 3b belong to the monoclinic space group C2/c and contain two distinct radical environments, A and B. There are eight A radicals in the unit cell, which occupy general positions and form alternating twisted 蟺-stacks running parallel to the c-axis. The four B radicals also adopt an alternating 蟺-stack pattern, but each molecule lies on a crystallographic 2-fold rotation axis, and the overlay of neighboring radicals is centrosymmetric. Stacks of A radicals are linked by close intermolecular S路路路O鈥?and S路路路N鈥?contacts into ribbon-like arrays that weave along the y-direction, and the B radical stacks are located in columnar cavities generated by the out-of-register alignment of the ribbons of A radicals. Variable temperature magnetic susceptibility measurements indicate a strongly antiferromagnetically coupled system, a result in accord with DFT estimated exchange energies for intrastack radical鈥搑adical interactions. Four-probe conductivity measurements indicate a conductivity 蟽(300 K) = 9.0 脳 10^鈥? S cm^鈥?, with a thermal activation energy E_act = 0.13 eV.