Synthesis, characterization, and modelling of novel multifunctional acryloyl-based monomers: An experimental and computational study

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 C-13 NMR spectra as well as a comparison of the performance of several methods for calculating chemical shifts.