A donor–acceptor coupling unit modulates the spin coupling effect of a stable diradical,Journal of Materials Chemistry C

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A donor–acceptor coupling unit modulates the spin coupling effect of a stable diradical
Journal of Materials Chemistry C ( IF 5.7 ) Pub Date : 2024-05-20 , DOI: 10.1039/d4tc01306a
Yurou Lang ₁ , Yuxuan Hei ₁ , Tanrong Yu ₁ , Yutao Yang ₁ , Ming Chen ₁ , Junrui Zhang ₁ , Fu-Gang Zhao ₁ , Yonghao Zheng ₂ , Xunshan Liu ₁

Affiliation

This study presents the synthesis and characterization of a highly conjugated stable diradical molecule composed of a donor–acceptor coupling unit. The optical, electrochemical, and spintronic properties of this molecule were comprehensively investigated. Triphenylamine served as the electron donor, while 2,1,3-benzothiadiazole was utilized as the electron acceptor for constructing the backbone of the diradical molecule. Two pendant nitronyl nitroxide radicals were incorporated onto the triphenylamine moiety. A comparative study between our diradical molecule and a reference counterpart with only a donor group as the coupling unit revealed intriguing differences in optical properties and singlet-to-triplet energy gap. Our findings demonstrate that the D–A effect induces intramolecular charge polarization on the coupling unit, which subsequently influences the spin–spin interactions of the diradical molecules. Thus, our results offer novel insights into the effective preparation of fully conjugated and stable diradicals, as well as providing a convenient approach for tuning the spintronic and magnetic properties of diradical materials.

中文翻译：

供体-受体耦合单元调节稳定双自由基的自旋耦合效应

本研究介绍了由供体-受体偶联单元组成的高度共轭稳定双自由基分子的合成和表征。对该分子的光学、电化学和自旋电子学性质进行了全面研究。三苯胺作为电子供体，2,1,3-苯并噻二唑作为电子受体，构建双自由基分子的主链。将两个侧硝硝基氮氧自由基引入到三苯胺部分上。我们的双自由基分子与仅以供体基团作为偶联单元的参考对应物之间的比较研究揭示了光学性质和单重态到三重态能隙的有趣差异。我们的研究结果表明，D-A 效应会引起耦合单元上的分子内电荷极化，从而影响双自由基分子的自旋-自旋相互作用。因此，我们的结果为有效制备完全共轭和稳定的双自由基提供了新颖的见解，并为调节双自由基材料的自旋电子和磁性特性提供了一种便捷的方法。

更新日期：2024-05-20

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