Talk:Bell–Evans–Polanyi principle
The Derivation on this page makes not much sense to me. Does anyone else have this issue?
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Who is Bell? Biscuittin (talk) 17:31, 12 November 2010 (UTC)
The question from 2010 was too short to be effective perhaps but is right on point. As can be seen from the body of the article, this principle is known as the Bronsted Evans Polanyi relationship, not Bell. Someone has mis-edited this, and I respectfully suggest that the title of the article revert to "Bronsted-Evans-Polanyi principle". Furthermore, the references at the bottom of this article are not the seminal ones. I think that the Broadbelt and Bell citations can be deleted. — Preceding unsigned comment added by 110.70.54.232 (talk) 06:17, 8 November 2014 (UTC)
Furthermore, the correct seminal references are not provided. The correct references are:
Brønsted, N., Chem. Rev. 5, 231–338 (1928). as presently seen at the ACS website: http://pubs.acs.org/doi/abs/10.1021/cr60019a001
Evans MG, Polanyi M (1938) Trans Faraday Soc 34:11 as presently seen at the RSC website: http://pubs.rsc.org/en/content/articlelanding/1938/tf/tf9383400011#!divAbstract
If you want a modern reference that uses these concepts and that is seminal in its own right, please consider: A Logadottir, T.H Rod, J.K Nørskov, B Hammer, S Dahl, C.J.H Jacobsen, The Brønsted–Evans–Polanyi Relation and the Volcano Plot for Ammonia Synthesis over Transition Metal Catalysts, Journal of Catalysis, Volume 197, Issue 2, 25 January 2001, Pages 229-231, ISSN 0021-9517, http://dx.doi.org/10.1006/jcat.2000.3087. (http://www.sciencedirect.com/science/article/pii/S0021951700930872) Keywords: N2 dissociation; DFT calculations; kinetic; transition metals
http://www.sciencedirect.com/science/article/pii/S0021951700930872
The page is actually wrong. The Bell-Evans-Polanyi looks at intersecting parabola, not lines; it predicts that the position of TS as well as the activation energy change with exothermicity. It preshadows both the Hammond postulate and the Marcus theory. The Bronsted theory is much simpler.
I should take the time to edit the page, but until then, for a very good text, see: "Introduction to Computations Chemistry" by Frank Jensen. In edition 1, it is pages 364-368. — Preceding unsigned comment added by Peonor (talk • contribs) 14:56, 9 February 2015 (UTC)