BN‐Embedded Tetrabenzopentacene: A Pentacene Derivative with Improved Stability

Considerable efforts have been devoted to achieving stable acene derivatives for electronic applications; however, the instability is still a major issue for such derivatives. To achieve higher stability with minimum structural change, CC units in the acenes were replaced with isoelectronic BN units to produce a novel BN‐embedded tetrabenzopentacene (BNTBP). BNTBP, with a planar structure, is highly stable to air, moisture, light, and heat. Compared with its carbon analogue tetrabenzopentacene (TBP), BN embedment lowered the highest occupied molecular orbital (HOMO) energy level of BNTBP, changed the orbital distribution, and decreased the HOMO orbital coefficients at the central carbon atoms, which stabilize BNTBP molecules upon exposure to oxygen and sunlight. The single‐crystal microribbons of BNTBP exhibited good performance in field‐effect transistors (FETs). The high stability and good mobility of BNTBP indicates that BN incorporation is an effective approach to afford stable large‐sized acenes with desired properties. Eingebundene BN‐Einheiten spielen eine wichtige Rolle für die Stabilisierung eines Pentacenderivats, indem sie die Orbitalverteilung fein justieren und das HOMO‐Energieniveau absenken. Dies ist eine effektive Strategie, um stabile Acene herzustellen, ohne die molekulare Konfiguration und die intermolekulare Packungsstruktur zu verändern, was die Anwendungsmöglichkeiten großer Acene in elektronischen Bauelementen verbessert.