NMR Studies of Polystyrene Tacticity

Abstract
The NMR spectral assignments of polystyrene are reviewed and re-examined using various NMR techniques. Revised 13C-NMR assignments are obtained of the backbone methylene carbon; furthermore, the tacticity sequences of backbone methine carbon are assigned for the first time. The observed spectral intensities are fitted to a reaction probability model using curve deconvolution and a computer-assisted analytical approach. In addition, through the two-dimensional 1H-13C shift-correlated experiment, 1H-NMR assignments are obtained. A spectral simulation approach, using a statistical model and observed 13C shifts, is devised.