Hydrogen Atom Transfer: A Breakthrough Method for Transforming Carboxylic Acids

By Quantum Server Networks | July 2025

Hydrogen Atom Transfer Method

Carboxylic acids are everywhere in nature and industry, serving as crucial building blocks for pharmaceuticals, polymers, and advanced materials. However, selectively activating their strong O–H bonds for chemical transformations has long been a challenge. Now, researchers at WPI-ICReDD and the University of Shizuoka have developed an elegant, inexpensive method that leverages hydrogen atom transfer (HAT) to achieve this goal using a commercial photocatalyst.

A Facile Method with Xanthone Photocatalyst

Published in the Journal of the American Chemical Society, the team’s work showcases how xanthone, a simple ketone-based photocatalyst, can selectively activate carboxylic acids to generate carboxy radicals. These reactive intermediates enable a wide variety of chemical transformations, including versatile C–C and C–heteroatom bond formations. This innovation makes HAT catalysis accessible for developing new drugs and materials while minimizing cost and waste.

"Our approach opens the door to using affordable, widely available photocatalysts to achieve transformations that previously required expensive and specialized reagents," said Associate Professor Hiroki Hayashi of WPI-ICReDD.

Computational Predictions Drive Success

The researchers combined experimental and computational techniques to identify xanthone as the ideal catalyst for selective O–H bond activation. Using the artificial force-induced reaction (AFIR) method, they predicted reaction pathways and confirmed that hydrogen bonding played a crucial role in selectivity. Impressively, their system achieved >10:1 ratios for selective O–H bond cleavage across more than 40 reaction examples.

"This project made me truly appreciate the power of computational chemistry in predicting and controlling highly reactive radical species," added Assistant Professor Kenji Yamashita from the University of Shizuoka.

Applications and Impact

Beyond pharmaceuticals, this method’s ability to efficiently produce carboxy radicals could transform processes in materials science and green chemistry. The xanthone-catalyzed HAT system is not only cost-effective but also environmentally friendly, generating minimal reaction waste and avoiding the need for heavy metals.

Read the original article on Phys.org

Explore Further

Access the full study in Journal of the American Chemical Society.

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#HydrogenAtomTransfer #CarboxylicAcids #Photocatalysis #GreenChemistry #ComputationalChemistry #MaterialsScience #PWmat #QuantumInnovation

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