Archive for August, 2020

Exploiting the power of persistent identifiers (PIDs) for locating all kinds of research object.

Saturday, August 29th, 2020

The folks at DataCite have announced a new research object discovery service which aims to give users a “comprehensive overview of connections between entities in the research landscape”. The portal https://commons.datacite.org acts as the entry point for three basic types of persistent identifiers (PIDs);

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

Thursday, August 27th, 2020

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.

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The Willgerodt-Kindler Reaction: mechanistic reality check 2.

Friday, August 14th, 2020

Continuing an exploration of the mechanism of this reaction, an alternative new mechanism was suggested in 1989 (having been first submitted to the journal ten years earlier!).[1] Here the key intermediate proposed is a thiirenium cation (labelled 8 in the article) and labelled Int3 below.

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References

  1. M. Carmack, "The willgerodt-kindler reactions. 7. The mechanisms", Journal of Heterocyclic Chemistry, vol. 26, pp. 1319-1323, 1989. http://dx.doi.org/10.1002/jhet.5570260518