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Radical Ring-Opening Polymerization of Phosphorus Heterocylces: Computational Design of Suitable Phosphetane Monomers

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Coote, Michelle; Hodgson, Jennifer; Krenske, Elizabeth; Namazian, Mansoor; Wild, Stanley (Bruce)

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High-level ab initio calculations have been used to determine the propensities of various phosphetanes towards radical ring-opening polymerization. At the G3(MP2)-RAD level of theory, the propagation rate constants of 1-methylphosphetane (7.5 × 104 L mol

dc.contributor.authorCoote, Michelle
dc.contributor.authorHodgson, Jennifer
dc.contributor.authorKrenske, Elizabeth
dc.contributor.authorNamazian, Mansoor
dc.contributor.authorWild, Stanley (Bruce)
dc.date.accessioned2015-12-10T22:12:36Z
dc.identifier.issn0004-9425
dc.identifier.urihttp://hdl.handle.net/1885/49738
dc.description.abstractHigh-level ab initio calculations have been used to determine the propensities of various phosphetanes towards radical ring-opening polymerization. At the G3(MP2)-RAD level of theory, the propagation rate constants of 1-methylphosphetane (7.5 × 104 L mol
dc.publisherCSIRO Publishing
dc.sourceAustralian Journal of Chemistry
dc.subjectKeywords: Copolymerization; Enantioselectivity; Free radical polymerization; Microstructure; Rate constants; Ring opening polymerization; Substitution reactions; Phosphetanes; Propagation rate; t-butyl substituent; Phosphorus
dc.titleRadical Ring-Opening Polymerization of Phosphorus Heterocylces: Computational Design of Suitable Phosphetane Monomers
dc.typeJournal article
local.description.notesImported from ARIES
local.identifier.citationvolume60
dc.date.issued2007
local.identifier.absfor030799 - Theoretical and Computational Chemistry not elsewhere classified
local.identifier.absfor030305 - Polymerisation Mechanisms
local.identifier.ariespublicationu4217927xPUB191
local.type.statusPublished Version
local.contributor.affiliationCoote, Michelle, College of Physical and Mathematical Sciences, ANU
local.contributor.affiliationHodgson, Jennifer, College of Physical and Mathematical Sciences, ANU
local.contributor.affiliationKrenske, Elizabeth, College of Physical and Mathematical Sciences, ANU
local.contributor.affiliationNamazian, Mansoor, College of Physical and Mathematical Sciences, ANU
local.contributor.affiliationWild, Stanley (Bruce), College of Physical and Mathematical Sciences, ANU
local.description.embargo2037-12-31
local.bibliographicCitation.issue10
local.bibliographicCitation.startpage744
local.bibliographicCitation.lastpage753
local.identifier.doi10.1071/CH07121
dc.date.updated2015-12-09T07:54:26Z
local.identifier.scopusID2-s2.0-35148834728
CollectionsANU Research Publications

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