Theoretical study of 31P, 31P coupling constants in cyclotriphosphazenes.
Several scalar coupling constants (mainly 31P, 31P) were calculated for 10 cyclotriphosphazenes and compared with experimental results when available. Although the experimental values cannot be reproduced, the calculated values are proportional to the experimental values. Some difficult cases, such as 19F, 19F couplings, are discussed.
Fruchier
Alain
A
UMR 5076, ENSCM, 8 rue de l'Ecole Normale, F-34296 Montpellier Cédex 5, France. fruchier@enscm.fr
Vicente
Virginie
V
Alkorta
Ibon
I
Elguero
José
J
D009682:Magnetic Resonance Spectroscopy / Q000379:methods / Q000592:standards; D008956:Models, Chemical; D008958:Models, Molecular; D008968:Molecular Conformation; D009570:Nitriles / Q000737:chemistry; D009943:Organophosphorus Compounds / Q000737:chemistry*; D010759:Phosphorus Isotopes; D012015:Reference Standards
D009570:Nitriles; D009943:Organophosphorus Compounds; D010759:Phosphorus Isotopes