Investigation of rotations in isomerism forms of a ylide of theophylline: Dynamic 1H NMR study

Abstract

The internal rotations around the some within a ylide involving theophylline has been studied using the dynamic 1 H NMR spectroscopic technique in different temperatures. The kinetic and activation quantities were calculated. Arrhenius, Eyring and classic methods were applied for isomers. compared for carbon-carbon double, carbon-carbon single bond for Z isomer. The results obtained by classic method was different with data calculated from Arrhenius and Eyring methods while these methods were consistent together.