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Nuclear magnetic resonance of phosphorus compounds: 9—The NMR spectra of phosphirane

1983; Wiley; Volume: 21; Issue: 8 Linguagem: Inglês

10.1002/omr.1270210809

0030-4921

Harold Goldwhite, D. G. Rowsell, Lawrence E. Vertal, Michael T. Bowers, Maureen Cooper, S Manatt,

Organophosphorus compounds synthesis

Abstract The 100 MHz proton and 40.4 MHz 31 P NMR spectra of phosphirane (1) have been recorded at −20 °C and analysed iteratively to yield coupling constants and chemical shifts. The 22.6 MHz 13 C spectrum of 1 was recorded at 0 °C and analyzed. The 31 P chemical shift of 1 was measured as 40 467 515.97 ± 0.08 Hz relative to TMS as 100 000 000.00 Hz. The geminal P‐C‐H couplings in 1 are opposite in sign and of different magnitudes (+16.14 and −2.64 Hz); the PH coupling (+158.34 Hz) is smaller than that in any other organic phosphine. These observations are discussed and correlated with the geometry of 1. The electronic structure of the strained ring of 1 is discussed in terms of a localized valence bond approach.