Multinuclear NMR Characterization of Cyanuric Fluoride (2,4,6‐Trifluoro‐1,3,5‐triazine) | Zendy

Fresno Nieves | Zendy; PérezFernández Ruth | Zendy; Luisa Jimeno M. | Zendy; Alkorta Ibon | Zendy; SánchezSanz Goar | Zendy; Elguero José | Zendy; Del Bene Janet E. | Zendy

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Multinuclear NMR Characterization of Cyanuric Fluoride (2,4,6‐Trifluoro‐1,3,5‐triazine)

Author(s) -

Fresno Nieves,

PérezFernández Ruth,

Luisa Jimeno M.,

Alkorta Ibon,

SánchezSanz Goar,

Elguero José,

Del Bene Janet E.

Publication year - 2012

Publication title -

journal of heterocyclic chemistry

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.321

H-Index - 59

eISSN - 1943-5193

pISSN - 0022-152X

DOI - 10.1002/jhet.1076

Subject(s) - chemistry , cyanuric acid , isotopomers , coupling constant , triazine , fluoride , chemical shift , molecule , computational chemistry , crystallography , inorganic chemistry , organic chemistry , melamine , physics , particle physics

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. Â© 2012 HeteroCorporation.Peer Reviewe

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