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共轭稳定双自由基中的自旋特性。

Spin characteristics in conjugated stable diradicals.

作者信息

Dai Dacheng, Zhan Qian, Shi Tianfang, Wang Dongsheng, Zheng Yonghao

机构信息

School of Optoelectronic Science and Engineering, University of Electronic Science and Technology of China (UESTC), Chengdu 611731, People's Republic of China.

State Key Laboratory of Organic Electronics and Information Displays & Institute of Advanced Materials (IAM), Nanjing University of Posts & Telecommunications, 9 Wenyuan Road, Nanjing 210023, People's Republic of China.

出版信息

Chem Commun (Camb). 2024 Aug 20;60(68):8997-9006. doi: 10.1039/d4cc03067b.

DOI:10.1039/d4cc03067b
PMID:39081131
Abstract

Spin properties are intrinsic characters of electrons. Radical molecules contain unpaired electron(s), and their unique chemical and physical properties make them an ideal platform for investigating spin properties in molecular systems. Among them, the burgeoning interest in stable conjugated diradicals is attributed to their distinctive characteristics, notably the dynamic resonance structures between open-shell and closed-shell forms, the malleability of their spin states, and the profound influence of intermolecular spin-spin interactions. A deep understanding of the spin characteristics of unpaired electrons in stable conjugated diradicals provides guidance for the design, synthesis, and characterization of radical-based materials. In this review, we discuss the unique spin delocalization, spin states, and spin-spin coupling characteristics of conjugated diradicals and emphasize how to precisely control these spin characteristics to understand their role in the molecules and as functional radical materials.

摘要

自旋性质是电子的固有特性。自由基分子含有未成对电子,其独特的化学和物理性质使其成为研究分子体系中自旋性质的理想平台。其中,对稳定共轭双自由基的兴趣日益浓厚,这归因于它们的独特特性,特别是开壳层和闭壳层形式之间的动态共振结构、自旋态的可塑性以及分子间自旋-自旋相互作用的深远影响。深入了解稳定共轭双自由基中未成对电子的自旋特性,为基于自由基的材料的设计、合成和表征提供了指导。在这篇综述中,我们讨论了共轭双自由基独特的自旋离域、自旋态和自旋-自旋耦合特性,并强调如何精确控制这些自旋特性,以了解它们在分子中以及作为功能性自由基材料的作用。

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