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The course of proton exchange reactions: a theoretical study

✍ Scribed by Dietmar Heidrich; Monika Rückert; Hans-Joachim Köhler

Publisher
Elsevier Science
Year
1987
Tongue
English
Weight
388 KB
Volume
136
Category
Article
ISSN
0009-2614

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✦ Synopsis

Ab initio calculations on double proton transfer in six-membered rings indicate that as the polarity of the system increases the symmetric H-bonded structure is stabilized with respect to the asymmetric one. Strong donor-acceptor systems are candidates for the formation of cyclic vapour-phase ion pairs. By considering the influence of a solvent continuum a comparison is possible with the chemistry in solution.

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