Intramolecular proton transfer in [Ph2B-OH2](+). Participation of a phenyl groupDrew, M.G.B., Pal, P.K., Chowdhury, S. and Datta, D. (2003) Intramolecular proton transfer in [Ph2B-OH2](+). Participation of a phenyl group. New Journal of Chemistry, 27 (7). pp. 1026-1028. ISSN 1144-0546 Full text not archived in this repository. It is advisable to refer to the publisher's version if you intend to cite from this work. See Guidance on citing. To link to this item DOI: 10.1039/b302590j Abstract/SummaryAb initio calculations at the HF/6-31+G* level on [Ph2B-OH2](+) show that in the gas phase the structure with the proton attached to an ipso C is lower in energy than the one with the proton on the oxygen atom by 8.40 kcal mol(-1). The transition states and reaction paths for intramolecular proton transfer in [Ph2B-OH2](+) have also been studied.
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