A persistent concealed non-Kekulé nanographene: synthesis and in situ characterization
Publikation: Beitrag in Fachzeitschrift › Forschungsartikel › Beigetragen › Begutachtung
Beitragende
Abstract
Concealed non-Kekulé (CNK) nanographenes have recently gained attention as promising non-Kekulé model systems due to their distinctive antiferromagnetic electronic spins, which offer potential applications in spintronics and quantum information science. However, synthesizing CNK nanographenes in solution remains a significant challenge because of their strong biradical character and high reactivity. In this study, we report the successful synthesis of a novel CNK nanographene with two phenalene units fused in a cis configuration to perylene (c-CNK), which exhibits persistent stability under ambient conditions, with a half-life (t1/2) of 59 minutes. The formation of c-CNK is confirmed using in situ UV-Vis-NIR spectroscopy, Raman spectroscopy, and high-resolution mass spectrometry. The open-shell character of c-CNK is supported by electron paramagnetic resonance (EPR) spectroscopy by observing an isotropic signal with a g-value of 2.0026. Quantum chemical simulations reveal a high biradical character (y0 = 0.97) and a singlet open-shell ground state with a small singlet-triplet energy gap (ΔES-T) of 0.4 kcal mol−1. This work presents a solution synthesis of a next-generation concealed non-Kekulé nanographene with intrinsic antiferromagnetic electronic spins, highlighting its potential as a promising material for future quantum technologies.
Details
| Originalsprache | Englisch |
|---|---|
| Seiten (von - bis) | 1432-1437 |
| Seitenumfang | 6 |
| Fachzeitschrift | Organic chemistry frontiers |
| Jahrgang | 12 |
| Ausgabenummer | 5 |
| Publikationsstatus | Veröffentlicht - 20 Dez. 2024 |
| Peer-Review-Status | Ja |