Dr. Wenzhen Lai, Dr. Chunsen Li, Prof. Dr. Hui Chen and Prof. Dr. Sason Shaik Hydrogen-Abstraction Reactivity Patterns from A to Y: The Valence Bond Way Angewandte Chemie International Edition 51
Give us insight and good numbers: Is it possible to understand one of the fundamental reactions in nature, the hydrogen-atom transfer (HAT), using a single unifying theory? The valence bond diagram model is such a unifying theory. It enables the barriers to be estimated from raw data (see plot), thereby creating a natural bridge to the Marcus equation, addresses the relationships between HAT to proton-coupled electron transfer (PCET), and shows how H-abstractions by closed-shell molecules can occur.
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