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A theoretical study of the effect of copper(I) chloride on the azido/tetrazole isomerism

AuthorsBlanco, F.; Alkorta, Ibon ; Elguero, José
Issue Date2011
PublisherPergamon Press
CitationTetrahedron 67: 8724- 8730 (2011)
AbstractB3LYP/6-31G(d), B3LYP/6-311++G(d,p), and CBS-QB3 calculations on the effect of CuCl on the azido/tetrazole isomerism have been performed. The cases of 2-azidopyridine and 2-azido-1H-imidazole have been selected as examples of heteroaromatic six- and five-membered rings. All minima and transition states have been characterized. © 2011 Elsevier Ltd. All rights reserved.
Identifiersdoi: 10.1016/j.tet.2011.09.027
issn: 0040-4020
Appears in Collections:(IQM) Artículos
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