Lookup NU author(s): Dr Bruce Tattershall,
Dr Julian Knight
Full text for this publication is not currently held within this repository. Alternative links are provided below where available.
Oxidation of P4S3 with ICN gives exo,exo- and endo,exo-β-P4S3I2, -β-P4S3(CN)2, and -β-P4S3I(CN) as initial products. Ab initio GIAO calculations of NMR shieldings at the RHF/3-21G* level are sufficient to assign the spectrum of endo,exo-β-P4S3(CN)2 and to confirm the identity of the observed endo,exo-β-P4S3I(CN), which has iodine rather than cyanide in the hindered endo position. Reaction of enantiomerically pure (S)-1-phenyltetrahydroisoquinoline with exo,exo-β-P4S3I2 gives an exo,exo-diamide in which the Cs symmetry of the β-P4S3 cage is lost. The two amido groups, planar at nitrogen, are each capable of two orientations, giving four P-N bond rotamers at 183 K. The 31P NMR spectra of three of these have been fitted, and assigned to particular rotamers by ab initio shielding calculations.
Author(s): Knight JG; Tattershall BW
Publication type: Article
Publication status: Published
Journal: Phosphorus, Sulfur and Silicon and Related Elements
Print publication date: 01/01/2001
ISSN (print): 1042-6507
ISSN (electronic): 1563-5325
Publisher: Taylor & Francis
Altmetrics provided by Altmetric