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）单元构筑的线性扩展π共轭体系：2,6′:2′,6″-三薁。该简单烃类化合物展现出优异的n型晶体管性能，其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（LUMO）均匀分布于整个分子骨架，而最高占据分子轨道（HOMO）则定域于分子的一端。上述研究结果表明，该体系不利于空穴载流子传输，却具备优异的n型专属传输特性。本体系提出了一种非常规的设计理念：通过调控分子轨道分布实现有机场效应晶体管（Organic Field-Effect Transistor）的极性调控。