CUED Publications database

Structural and Electronic Information on Two Solid Iminophosphoranes, Obtained from NMR

Cherryman, JC and Harris, RK and Davidson, MG and Price, RD (1999) Structural and Electronic Information on Two Solid Iminophosphoranes, Obtained from NMR. Journal of the Brazilian Chemical Society, 10. pp. 287-292. ISSN 0103-5053

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Abstract

Phosphorus-31 and carbon-13 CPMAS NMR spectra have been obtained for imino(triphenyl)phosphorane and amino(triphenyl)phosphonium bromide. Detailed analysis yields information about the 31 P shielding tensor and the 14 N quadrupole coupling tensor. The static 31 P spectrum of the bromide was also analysed in terms of the relevant tensors. Ab initio calculations at the hf/6-31g* level reproduce the observed data well, except for the isotropic shifts, which require a larger basis set and/or higher level of theory. The orientations of the tensors in the molecular frame are derived for the bromide from the calculations.

Item Type: Article
Subjects: UNSPECIFIED
Divisions: Div B > Electronics, Power & Energy Conversion
Depositing User: Cron Job
Date Deposited: 17 Jul 2017 19:40
Last Modified: 03 Aug 2017 03:12
DOI: