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Please use this identifier to cite or link to this item: http://hdl.handle.net/10261/61822
Title: Multinuclear NMR characterization of cyanuric Fluoride (2,4,6-Trifluoro-1, 3,5-triazine)
Authors: Fresno, Nieves; Pérez-Fernández, Ruth; Jimeno, M. Luisa; Alkorta, Ibon; Sánchez‐Sanz, Goar; Elguero, José; Del Bene, Janet E.
Issue Date: 2012
Publisher: John Wiley & Sons
Citation: Journal of Heterocyclic Chemistry 49 : 1257- 1259 (2012)
Abstract: Although 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.
URI: http://hdl.handle.net/10261/61822
DOI: 10.1002/jhet.1076
Identifiers: doi: 10.1002/jhet.1076
issn: 0022-152X
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