A single crystal of N,N′-bis(4-methoxybenzyl)perylene-3,4,9,10-bis(dicarboximide) (mb-PBI) that possesses novel magic-angle stacking (M-type stacking) and strong intermolecular π–π interaction is achieved by physical vapor transport (PVT), which shows attractive optoelectronic functions such as efficient NIR emission and high electron mobility. In this special M-type staking, the strong Frenkel/CT mixing state promotes fluorescence and, importantly, the elimination of long-distance Förster resonance energy transfer enables the minimization of the possible fluorescence quenching, which ensure the highly efficient emission. Moreover, the strong π–π interaction elongates the “supramolecular conjugation” to reduce the energy gap and also benefits the electron mobility of the crystal. The experimental results clearly indicate that M-type staking is a novel approach to optimize the optoelectronic functions of organic semiconducting materials.

中文翻译：

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sim双酰亚胺晶体中的魔角堆叠和强分子间π-π相互作用：高效近红外（NIR）发射和高电子迁移率的方法

N，N的单晶具有新颖的魔角堆叠（M型堆叠）和强分子间π–π相互作用的′-双（4-甲氧基苄基）per-3,4,9,10-双（二甲酰亚胺）（mb-PBI）通过物理气相传输（PVT），显示出诱人的光电功能，例如有效的近红外发射和高电子迁移率。在这种特殊的M型桩中，强大的Frenkel / CT混合状态促进了荧光，而且，重要的是，消除了长距离Förster共振能量转移，可以最大程度地减少可能的荧光猝灭，从而确保高效发射。此外，强大的π-π相互作用延长了“超分子共轭”作用，以减小能隙，也有利于晶体的电子迁移率。