Solvent effects on infrared, 13C and 31P NMR spectra of trimethyl phosphate : Part 1. Single solvent systems

Abstract

Infrared and multinuclear magnetic resonance spectroscopy (NMR) studies of trimethyl phosphate in 24 different solvents were undertaken to investigate the solute–solvent interactions and to correlate solvent properties such as acceptor number and dielectric constant with the infrared band shift and the 13C and 31P NMR chemical shifts. Furthermore the cross-correlation between the infrared and NMR shifts in different solvents was studied. The results demonstrate that in general there is a correlation between IR and NMR shifts: the infrared, 13C and 31P shifts can be predicted for most solvents used in this study, if one of them is known.