Multinuclear NMR Characterization of Cyanuric Fluoride (2,4,6‐Trifluoro‐1,3,5‐triazine)
- 1 September 2012
- journal article
- research article
- Published by Wiley in Journal of Heterocyclic Chemistry
- Vol. 49 (5) , 1257-1259
Abstract
Although 2,4,6‐trifluoro‐1,3,5‐triazine, C3F3N3, 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.Keywords
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