Ab initio evidence for slow fragmentation in RAFT polymerization

Michelle L. Coote; Leo Radom

doi:10.1021/ja028645h

Ab initio evidence for slow fragmentation in RAFT polymerization

Michelle L. Coote^*
, Leo Radom

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

154 Citations (Scopus)

Abstract

High-level ab initio molecular orbital calculations on model reversible addition-fragmentation transfer (RAFT) polymerization reactions indicate that the retardation effect that is widely observed for methyl acrylate polymerization in the presence of cumyl dithiobenzoate may be attributed to the slow fragmentation of the RAFT adduct radical.

Original language	English
Pages (from-to)	1490-1491
Number of pages	2
Journal	Journal of the American Chemical Society
Volume	125
Issue number	6
DOIs	https://doi.org/10.1021/ja028645h
Publication status	Published - 12 Feb 2003

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title = "Ab initio evidence for slow fragmentation in RAFT polymerization",

abstract = "High-level ab initio molecular orbital calculations on model reversible addition-fragmentation transfer (RAFT) polymerization reactions indicate that the retardation effect that is widely observed for methyl acrylate polymerization in the presence of cumyl dithiobenzoate may be attributed to the slow fragmentation of the RAFT adduct radical.",

author = "Coote, \{Michelle L.\} and Leo Radom",

year = "2003",

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doi = "10.1021/ja028645h",

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T1 - Ab initio evidence for slow fragmentation in RAFT polymerization

AU - Coote, Michelle L.

AU - Radom, Leo

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Y1 - 2003/2/12

N2 - High-level ab initio molecular orbital calculations on model reversible addition-fragmentation transfer (RAFT) polymerization reactions indicate that the retardation effect that is widely observed for methyl acrylate polymerization in the presence of cumyl dithiobenzoate may be attributed to the slow fragmentation of the RAFT adduct radical.

AB - High-level ab initio molecular orbital calculations on model reversible addition-fragmentation transfer (RAFT) polymerization reactions indicate that the retardation effect that is widely observed for methyl acrylate polymerization in the presence of cumyl dithiobenzoate may be attributed to the slow fragmentation of the RAFT adduct radical.

UR - https://www.scopus.com/pages/publications/0037433198

U2 - 10.1021/ja028645h

DO - 10.1021/ja028645h

M3 - Article

SN - 0002-7863

VL - 125

SP - 1490

EP - 1491

JO - Journal of the American Chemical Society

JF - Journal of the American Chemical Society

IS - 6

ER -

Ab initio evidence for slow fragmentation in RAFT polymerization

Abstract

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