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A theoretical study of the mechanism of oxidation of 1H-pyrazolines to 1H-pyrazoles by molecular bromine

AuthorsAlkorta, Ibon ; Elguero, José
Issue Date2013
PublisherArkat USA
CitationArkivoc 2014: 19- 35 (2013)
AbstractThe bromine oxidation of NH-pyrazolines to pyrazoles involves a bromo substituted 2- or 1-pyrazoline. The present paper explores theoretically the different possibilities comparing the published NMR results to the experimental ones. Besides, geometries and energies are reported and discussed. © ARKAT-USA, Inc.
Identifiersdoi: 10.3998/ark.5550190.0015.203
issn: 1551-7012
e-issn: 1551-7012
Appears in Collections:(IQM) Artículos
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