The hypersurfaces for protonation of benzene and ethylene by H+ and H3O+ species have been studied by means of the MINDO/3 method. Proton solvation reduces the heat of the exothermic reactions, and changes their mechanism. Electrophilic attack is accompanied by desolvation of the proton with this process beginning late in the reaction, the transition state having been passed long before.
T. Sordo, M. Arumi and J. Bertrán, J. Chem. Soc., Perkin Trans. 2, 1981, 708 DOI: 10.1039/P29810000708
To request permission to reproduce material from this article, please go to the Copyright Clearance Center request page.
If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.
If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.
Read more about how to correctly acknowledge RSC content.
Please wait while we load your content...