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Updated: Sep 18, 2025

Photogeneration of N-Heterocyclic Carbenes: Application in Photoinduced Ring-Opening Metathesis Polymerization
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Photogeneration of N-Heterocyclic Carbenes: Application in Photoinduced Ring-Opening Metathesis Polymerization

Published on: November 29, 2018

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机器学习光动力学揭示了跨系统交叉驱动的梯子,其中一个环开放

Zhendong Li1, Haijun Fu1,2, Steven A Lopez3

  • 1Hoffmann Institute of Advanced Materials, Shenzhen Polytechnic University 7098 Liuxian Blvd, Nanshan District Shenzhen 518055 People's Republic of China lijingbai@szpu.edu.cn.

Chemical science
|June 23, 2025
PubMed
概括

接近可见的光触发了环开放反应,以有效合成循环环烯 (COT). 机器学习模拟预测了一种高效的光化学反应,具有89%的量子产量.

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Photochemical Electrocyclic Reactions: Stereochemistry

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.
Selection Rules: Photochemical Activation
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The Diels–Alder reaction brings together a diene and a dienophile to form a six-membered ring. Both components have unique characteristics that influence the rate of the reaction.
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