Ab Initio Study of the Penultimate Effect for the ATRP Activation Step Using Propylene, Methyl Acrylate, and Methyl Methacrylate Monomers
High-level ab initio molecular orbital calculations are used to study the magnitude and origin of the penultimate unit effect in atom transfer radical polymerization (ATRP) of dimers involving the comonomers methyl acrylate (MA), methyl methacrylate (MMA), and propylene (P). The penultimate unit effects depend on the nature of the terminal unit and the halogen and can be significant, with the MMA unit in particular altering the equilibrium constant for the bond dissociation equilibrium by as...[Show more]
|Collections||ANU Research Publications|
|01_Lin_Ab_Initio_Study_of_the_2007.pdf||242.86 kB||Adobe PDF||Request a copy|
Items in Open Research are protected by copyright, with all rights reserved, unless otherwise indicated.