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Multinuclear NMR characterization of cyanuric Fluoride (2,4,6-Trifluoro-1, 3,5-triazine)

AuthorsFresno, Nieves ; Pérez-Fernández, Ruth ; Jimeno, M. Luisa ; Alkorta, Ibon ; Sánchez‐Sanz, Goar; Elguero, José ; Del Bene, Janet E.
Issue Date2012
PublisherJohn Wiley & Sons
CitationJournal of Heterocyclic Chemistry 49 : 1257- 1259 (2012)
AbstractAlthough 2,4,6-trifluoro-1,3,5-triazine, C 3F 3N 3, is a highly symmetrical molecule, its NMR parameters can be obtained by reducing its symmetry through the introduction of 14N/ 15N and 12C/ 13C isotopomers. Experimental and computed chemical shifts of cyanuric fluoride have been obtained for 13C, 15N, and 19F. Spin-spin coupling constants have been measured and compared with previous experimental data and with the complete set of computed EOM-CCSD coupling constants. © 2012 HeteroCorporation.
Identifiersdoi: 10.1002/jhet.1076
issn: 0022-152X
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