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Updated: Jun 8, 2025

Photogeneration of N-Heterocyclic Carbenes: Application in Photoinduced Ring-Opening Metathesis Polymerization
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Published on: November 29, 2018

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DigiChemTree 能够实现可编程的光诱导碳素生成,用于按需的化学合成

Abhilash Rana1,2, Ruchi Chauhan1,2, Amirreza Mottafegh3

  • 1Department of Organic Synthesis and Process Chemistry, CSIR-Indian Institute of Chemical Technology, Hyderabad, 500007, India.

Communications chemistry
|November 2, 2024
PubMed
概括

复制化学反应是很困难的. DigiChemTree使用人工智能自动优化光化学反应并快速合成分子库,加速研发.

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The absorption of UV–visible light by conjugated systems causes the promotion of an electron from the ground state to the excited state. Consequently, photochemical electrocyclic reactions proceed via the excited-state HOMO rather than the ground-state HOMO. Since the ground- and excited-state HOMOs have different symmetries, the stereochemical outcome of electrocyclic reactions depends on the mode of activation; i.e., thermal or photochemical.
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