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Carbon‐13 and phosphorus‐31 NMR spectroscopy of phenoxychlorocyclotriphosphazenes, N 3 P 3 Cl 6‐ n (OC 6 H 5 ) n
Author(s) -
Reuben Jacques
Publication year - 1987
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.1260251206
Subject(s) - chemistry , chemical shift , coupling constant , nmr spectra database , spectral line , nuclear magnetic resonance spectroscopy , crystallography , spectroscopy , phosphorus 31 nmr spectroscopy , stereochemistry , analytical chemistry (journal) , organic chemistry , physics , particle physics , quantum mechanics , astronomy
The 31 P and 13 C NMR spectra of all twelve phenoxychlorocyclotriphosphazenes of general formula N 3 P 3 Cl 6‐ n (OC 6 H 5 ) n ( n = 1‐6) were assigned in detail. With samples abundant in one homolog, but with a disparity between geometrical isomers, the signals due to the cis and trans isomers of N 3 P 3 Cl 4 (OC 6 H 5 ) 2 and N 3 P 3 Cl 2 (OC 6 H 5 ) 4 were also assigned. The 31 P chemical shifts and coupling constants correlate linearly with the level of substitution, n . The 13 C NMR spectra exhibit complex multiplets for the ipso ‐ and ortho ‐carbons. It is shown that each of these is the X part of one of the spin systems XAM 2 , XAA′M, XAA 2 ′, XAB 2 and XAA′B. The 13 C chemical shifts of the ipso ‐ and para ‐carbons also exhibit correlations with n. The 13 C‐ 31 P coupling constants, both 2 J (POC) and 3 J (POCC), are larger for the PCl(OC 6 H 5 ) than for the P(OC 6 H 5 ) 2 moieties.