Synthesis, Characterization, and Modelling of Novel Multifunctional Acryloyl-Based Monomers: An Experimental and Computational Study

Abstract

Several novel multifunctional monomers with at least three reactive N-acryloyl double bonds have been synthesized and fully characterized. Quantum-chemical calculations and nuclear magnetic resonance (NMR) spectroscopy have been used to predict the structural dissymmetry of these monomers: the simulation of conformers and the NMR spectrum of monomer (3) allows the explanation of the observed ¹³C NMR spectra as well as a comparison of the performance of several methods for calculating chemical shifts.