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Molecular Photoswitching Aided by Excited‐State Aromaticity

机译:通过兴奋状态的芳香性辅助的分子照片

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Abstract Central to the development of optoelectronic devices is the availability of efficient synthetic molecular photoswitches, the design of which is an arena where the evolving concept of excited‐state aromaticity (ESA) is yet to make a big impact. The aim of this minireview is to illustrate the potential of this concept to become a key tool for the future design of photoswitches. The paper starts with a discussion of challenges facing the use of photoswitches for applications and continues with an account of how the ESA concept has progressed since its inception. Then, following some brief remarks on computational modeling of photoswitches and ESA, the paper describes two different approaches to improve the quantum yields and response times of switches driven by E / Z photoisomerization or photoinduced H‐atom/proton transfer reactions through simple ESA considerations. It is our hope that these approaches, verified by quantum chemical calculations and molecular dynamics simulations, will help stimulate the application of the ESA concept as a general tool for designing more efficient photoswitches and other functional molecules used in optoelectronic devices.
机译:摘要光电器件开发的核心是有效的合成分子照片情节的可用性,其设计是兴奋状态芳香性(ESA)的不断发展概念的竞技场尚未产生重大影响。这个Minieview的目的是说明这一概念的潜力成为未来光照设计的关键工具。本文始于讨论使用PlaysWitches进行应用的挑战,并继续以自成立以来esa概念的进展情况。然后,在一些关于照片开关和ESA的计算建模的简要评论之后,本文描述了通过简单的ESA考虑通过简单的ESA考虑来改善由E / Z光异构化或光突出的H-Atom /质子转移反应所驱动的量子产量和开关的响应时间的两种不同方法。我们希望通过量子化学计算和分子动力学模拟验证的这些方法将有助于刺激ESA概念作为设计更有效的光电装置和其他功能分子的一般工具的应用。

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