Saturday, October 27, 2007
Ballroom Posters (Greenville Hyatt Regency Hotel)
698

C-13 NMR Chemical Shift Correlations in Mono-Substituted Triphenylarsines

Austin Toman and Eugene Grimley. Elon University, Elon, NC

A series of homologous o-mono-substituted triphenylarsines have been synthesized using two step procedures involving the in situ formation of a potassium diphenylarsine intermediate and its subsequent reactions with ortho-disubstituted benzenes. The substituents include fluorine, chlorine, bromine, iodine, methyl and methoxy moieties. Chemical shift assignments were made using direct and pairwise bond additivity, C-F coupling constants, peak intensity and NOE effects for both the substituted and the non-substituted benzene rings. The Unified Correlation was achieved using the LFER field (F), resonance (R), and ortho-effect (Q) parameters for substituents previously reported in the literature:

d = aF + bR + cQ + d.

An interpretation of the causes of the chemical shift and coupling constant variations as a function of changes in the electronic properties of the compounds will be presented.