多环稳定中性自由基上π膨胀：苯环三氧三角烯的合成及物理性质

IF 2.8 4区化学 Q1 CHEMISTRY, ORGANIC

Asian Journal of Organic Chemistry Pub Date : 2025-03-01 DOI:10.1002/ajoc.202400690

Prof. Dr. Tsuyoshi Murata , Satsuki Doi , Rina Ishikawa , Prof. Dr. Ko Furukawa , Prof. Dr. Yasushi Morita

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引用次数: 0

摘要

本文报道了一种融合多环有机中性自由基三氧三角烯（TOT）的苯环衍生物的合成，并对其π-膨胀的电子效应进行了研究。在空气中，中性自由基在溶液和固体状态下都具有很高的稳定性。量子化学计算表明，该分子具有完全平面的分子结构，电子自旋在π-骨架上广泛离域，同时保持三重对称，这得到了电子自旋共振谱的实验支持。中性自由基也表现出与TOT中性自由基衍生物相当的强π缔合能力。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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π‐Expansion on a Polycyclic Stable Neutral Radical: Synthesis and Physical Properties of a Benz‐Annulated Trioxotriangulene

We report the synthesis of a benz‐annulated derivative of trioxotriangulene (TOT), a fused polycyclic organic neutral radical, and also the investigation on the electronic effects of π‐expansion. The neutral radical species was highly stable under air in both solution and solid states. Quantum chemical calculation suggested that the molecule has a completely planar molecular structure, and the electronic spin is widely delocalized throughout the π‐skeleton while maintaining three‐fold symmetry, which was experimentally supported by electronic spin resonance spectrum. The neutral radical also showed a strong π‐association ability comparable to that of TOT neutral radical derivatives.

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来源期刊

Asian Journal of Organic Chemistry CHEMISTRY, ORGANIC-

CiteScore

4.70

自引率

3.70%

发文量

372

期刊介绍： Organic chemistry is the fundamental science that stands at the heart of chemistry, biology, and materials science. Research in these areas is vigorous and truly international, with three major regions making almost equal contributions: America, Europe and Asia. Asia now has its own top international organic chemistry journal—the Asian Journal of Organic Chemistry (AsianJOC) The AsianJOC is designed to be a top-ranked international research journal and publishes primary research as well as critical secondary information from authors across the world. The journal covers organic chemistry in its entirety. Authors and readers come from academia, the chemical industry, and government laboratories.