Density functional theory (DFT) and Hartree-Fock (HF) calculations of potential p-vinylbenzyl chloride-based macroinitiator for atom transfer radical polymerization

Abstract

The spectroscopic properties of poly (styrene-co-p-vinylbenzyl chloride) (poly (St-co-VBC)) were investigated by Fourier transform infrared spectroscopy and H-1 nuclear magnetic resonance spectroscopic techniques. The molecular geometry and vibrational fr