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Spectroscopic Diagnosis of Excited-State Aromaticity: Capturing Electronic Structures and Conformations upon Aromaticity Reversal
Accounts of Chemical Research ( IF 16.4 ) Pub Date : 2018-03-06 00:00:00 , DOI: 10.1021/acs.accounts.7b00629 Juwon Oh 1 , Young Mo Sung 1 , Yongseok Hong 1 , Dongho Kim 1
Accounts of Chemical Research ( IF 16.4 ) Pub Date : 2018-03-06 00:00:00 , DOI: 10.1021/acs.accounts.7b00629 Juwon Oh 1 , Young Mo Sung 1 , Yongseok Hong 1 , Dongho Kim 1
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Aromaticity, the special energetic stability derived from cyclic [4n + 2]π-conjugated electronic structures, has been the topic of intense interest in chemistry because it plays a critical role in rationalizing molecular stability, reactivity, and physical/chemical properties. Recently, the pioneering work by Colin Baird on aromaticity reversal, postulating that aromatic (antiaromatic) character in the ground state reverses to antiaromatic (aromatic) character in the lowest excited triplet state, has attracted much scientific attention. The completely reversed aromaticity in the excited state provides direct insight into understanding the photophysical/chemical properties of photoactive materials. In turn, the application of aromatic molecules to photoactive materials has led to numerous studies revealing this aromaticity reversal. However, most studies of excited-state aromaticity have been based on the theoretical point of view. The experimental evaluation of aromaticity in the excited state is still challenging and strenuous because the assessment of (anti)aromaticity with conventional magnetic, energetic, and geometric indices is difficult in the excited state, which practically restricts the extension and application of the concept of excited-state aromaticity.
中文翻译：
激发态芳香性的光谱诊断：芳香性逆转时捕获电子结构和构象
芳香性，来自循环[4 n+ 2]π共轭电子结构一直是化学领域的热门话题，因为它在合理化分子稳定性，反应性和物理/化学性质方面起着至关重要的作用。最近，科林·贝尔德（Colin Baird）在芳香性逆转方面的开创性工作提出，基态的芳香（抗芳香）特征与最低激发三重态的抗芳香（芳香）特征相反，引起了许多科学关注。在激发态下完全颠倒的芳香性为了解光敏材料的光物理/化学性质提供了直接的见识。反过来，将芳香族分子应用于光敏材料导致了许多研究，揭示了这种芳香性的逆转。然而，大多数对激发态芳香性的研究都是基于理论的观点。在激发态下对芳香性进行实验评估仍然具有挑战性和艰巨性，因为在激发态下难以通过常规的磁性，高能和几何指数来评估（反）芳香性，这实际上限制了激发态概念的扩展和应用。态芳香。
更新日期：2018-03-06
中文翻译：
激发态芳香性的光谱诊断：芳香性逆转时捕获电子结构和构象
芳香性，来自循环[4 n+ 2]π共轭电子结构一直是化学领域的热门话题，因为它在合理化分子稳定性，反应性和物理/化学性质方面起着至关重要的作用。最近，科林·贝尔德（Colin Baird）在芳香性逆转方面的开创性工作提出，基态的芳香（抗芳香）特征与最低激发三重态的抗芳香（芳香）特征相反，引起了许多科学关注。在激发态下完全颠倒的芳香性为了解光敏材料的光物理/化学性质提供了直接的见识。反过来，将芳香族分子应用于光敏材料导致了许多研究，揭示了这种芳香性的逆转。然而，大多数对激发态芳香性的研究都是基于理论的观点。在激发态下对芳香性进行实验评估仍然具有挑战性和艰巨性，因为在激发态下难以通过常规的磁性，高能和几何指数来评估（反）芳香性，这实际上限制了激发态概念的扩展和应用。态芳香。
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