The Willgerodt-Kindler Reaction: mechanistic reality check 3. A peek under the hood for transition state location.

The two previous surveys of the potential energy surface for this, it has to be said, rather obscure reaction led to energy barriers that were rather to high to be entirely convincing. So here is a third possibility. The red section corresponds to the previous exploration, in which a 3-membered sulfur ring intermediate was mooted. Here […]

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