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The 15 N‐isotopomers of cis ‐ and trans ‐difluorodiazine; A 19 F NMR investigation of the two [AX] 2 spin systems of 15 N 2 F 2
Author(s) -
Aubke F.,
Hägele G.,
Willner H.
Publication year - 1995
Publication title -
magnetic resonance in chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.483
H-Index - 72
eISSN - 1097-458X
pISSN - 0749-1581
DOI - 10.1002/mrc.1260331009
Subject(s) - isotopomers , chemistry , nmr spectra database , coupling constant , spectral line , stereospecificity , nuclear magnetic resonance spectroscopy , spin (aerodynamics) , crystallography , stereochemistry , analytical chemistry (journal) , molecule , physics , catalysis , organic chemistry , particle physics , astronomy , thermodynamics
The decomposition of 15 N 3 F at −20°C leads to cis ‐ and trans ‐ 15 N 2 F 2 . The corresponding 19 F NMR spectra were analysed as [AX] 2 systems. 19 F, 15 N and 14 N NMR spectra were simulated using the novel PC program systems DSYMPCD, DCYMPCD and WIN‐DAISY running under WIN‐NMR. Stereospecific coupling constants were obtained for both isomers. Comparison of the 19 F NMR spectra from both the [ 1/2 A 1/2 X] 2 and the [ 1 A 1/2 X] 2 systems in 15 N 2 F 2 and 14 N 2 F 2 overcomes the inherent ambiguities of the [AX] 2 analysis.