Phenalenyl Radical: Smallest Polycyclic Odd Alternant Hydrocarbon Present in the Graphene Sheet,Chemical Reviews

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Phenalenyl Radical: Smallest Polycyclic Odd Alternant Hydrocarbon Present in the Graphene Sheet
Chemical Reviews ( IF 51.4 ) Pub Date : 2022-05-13 , DOI: 10.1021/acs.chemrev.1c00963
Jasimuddin Ahmed ₁ , Swadhin K Mandal ₁

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Phenalenyl, a zigzag-edged odd alternant hydrocarbon unit can be found in the graphene nanosheet. Hückel molecular orbital calculations indicate the presence of a nonbonding molecular orbital (NBMO), which originates from the linear combination of atomic orbitals (LCAO) arising from 13 carbon atoms of the phenalenyl molecule. Three redox states (cationic, neutral radical, and anionic) of the phenalenyl-based molecules were attributed to the presence of this NBMO. The cationic state can undergo two consecutive reductions to result in neutral radical and anionic states, stepwise, respectively. The phenalenyl-based radicals were found as crucial building blocks and attracted the attention of various research fields such as organic synthesis, material science, computation, and device physics. From 2012 onward, a strategy was devised using the cationic state of phenalenyl-based molecules and in situ generated phenalenyl radicals, which created a new domain of catalysis. The in situ generated phenalenyl radicals were utilized for the single electron transfer (SET) process resulting in redox catalysis. This emerging range of applications rejuvenates the more than six decades-old phenalenyl chemistry. This review captures such developments ranging from fundamental understanding to multidirectional applications of phenalenyl-based radicals.

中文翻译：

苯基自由基：石墨烯片中存在的最小的多环奇数交替烃

在石墨烯纳米片中可以找到一种锯齿形边缘奇数交替烃单元苯烯基。Hückel 分子轨道计算表明存在非键分子轨道 (NBMO)，它源于由 phenalenyl 分子的 13 个碳原子产生的原子轨道 (LCAO) 的线性组合。基于苯酚的分子的三种氧化还原状态（阳离子、中性自由基和阴离子）归因于这种 NBMO 的存在。阳离子状态可以经历两次连续还原，分别逐步产生中性自由基和阴离子状态。以苯酚为基础的自由基被发现是重要的组成部分，并引起了有机合成、材料科学、计算和器件物理等各个研究领域的关注。从 2012 年开始，使用基于苯酚的分子的阳离子状态设计了一种策略，并在原位产生苯酚自由基，从而创造了一个新的催化领域。原位产生的苯烯自由基被用于单电子转移（SET）过程，导致氧化还原催化。这种新兴的应用范围使已有六年多历史的苯烯基化学重新焕发活力。本综述涵盖了从基本理解到基于苯酚的自由基的多方向应用的这些发展。这种新兴的应用范围使已有六年多历史的苯烯基化学重新焕发活力。本综述涵盖了从基本理解到基于苯酚的自由基的多方向应用的这些发展。这种新兴的应用范围使已有六年多历史的苯烯基化学重新焕发活力。本综述涵盖了从基本理解到基于苯酚的自由基的多方向应用的这些发展。

更新日期：2022-05-13

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