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Computer-aided design of a destabilized RAFT adduct radical: Toward improved RAFT agents for styrene- block -vinyl acetate copolymers

Date

Authors

Coote, Michelle

Henry, David

Publisher

American Chemical Society

Abstract

High-level ab initio molecular orbital calculations indicate that a fluorine Z substituent significantly destabilizes the RAFT adduct radical, R'SO·(Z)SR, relative to known Z substituents. This destabilization of the RAFT adduct radical lowers the fragme

Keywords

Keywords: Chemical bonds; Computer aided design; Esters; Fluorine; Free radicals; Grafting (chemical); Molecular dynamics; Molecular weight; Monomers; Polymerization; Polyvinyl acetates; Styrene; RAFT adduct radicals; RAFT agents; Reversible addition fragmentation

URI

http://hdl.handle.net/1885/78835

Collections

Open Access Research

Source

Macromolecules

Type

Journal article

DOI

10.1021/ma050415a

Restricted until

2037-12-31

Downloads

File

Description

01_Coote_Computer-aided_design_of_a_2005.pdf (114.56 KB)