Terazulene: A High-Performance n‑Type Organic Field-Effect Transistor Based on Molecular Orbital Distribution Control

We present herein a linear expanded π-conjugation system comprising azulene units: 2,6′:2′,6″-terazulene. This simple hydrocarbon exhibits excellent n-type transistor performance with an electron mobility of up to 0.29 cm2 V–1 s–1. The lowest unoccupied molecular orbital (LUMO) is well distributed over the entire molecule, whereas the highest occupied molecular orbital (HOMO) is localized at one end. These findings indicate a disadvantage of hole carrier transport and an advantage of n-type-specific transport behavior. This system presents an unconventional concept: polarity control of OFET by molecular orbital distribution control.本文报道了一种以薁（azulene）为构筑单元的线性扩展π共轭体系：2,6′:2′,6″-三联薁。该简单烃类化合物展现出优异的n型晶体管性能，电子迁移率最高可达0.29 cm² V⁻¹ s⁻¹。其最低未占据分子轨道（lowest unoccupied molecular orbital，LUMO）在整个分子骨架上均匀分布，而最高占据分子轨道（highest occupied molecular orbital，HOMO）则局域于分子的一端。上述研究结果表明，该体系不利于空穴载流子传输，却具备n型专属传输特性。该体系提出了一种非常规研究理念：通过分子轨道分布调控实现有机场效应晶体管（Organic Field-Effect Transistor，OFET）的极性调控。