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Please use this identifier to cite or link to this item: https://hdl.handle.net/1959.11/7271
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dc.contributor.authorNguyen, Ngoc Haen
dc.contributor.authorKendell, Shaneen
dc.contributor.authorLe Minh, Camen
dc.contributor.authorBrown, Trevor Cen
dc.date.accessioned2011-05-03T10:55:00Z-
dc.date.issued2010-
dc.identifier.citationCatalysis Letters, 136(1-2), p. 28-34en
dc.identifier.issn1572-879Xen
dc.identifier.issn1011-372Xen
dc.identifier.urihttps://hdl.handle.net/1959.11/7271-
dc.description.abstractThe rearrangement of 3-methyl-2-oxetanone (lactone) into methacrylic acid has been explored using DFT methods. Calculations were performed for (i) intra-molecular, (ii) lactone-lactone and (iii) water and phosphomolybdic acid catalyzed conversions. The water and acid surface catalyzed route exhibited the lowest activation barrier (156 kJ mol⁻¹) of the three reaction pathways and overall is slightly endothermic (ΔH f = 37 kJ mol⁻¹).en
dc.languageenen
dc.publisherSpringer New York LLCen
dc.relation.ispartofCatalysis Lettersen
dc.titleMechanistic Investigation into the Rearrangement of Lactone into Methacrylic Acid over Phosphomolybdic Acid Catalysten
dc.typeJournal Articleen
dc.identifier.doi10.1007/s10562-010-0321-4en
dc.subject.keywordsCatalysis and Mechanisms of Reactionsen
local.contributor.firstnameNgoc Haen
local.contributor.firstnameShaneen
local.contributor.firstnameCamen
local.contributor.firstnameTrevor Cen
local.subject.for2008030601 Catalysis and Mechanisms of Reactionsen
local.subject.seo2008970103 Expanding Knowledge in the Chemical Sciencesen
local.profile.schoolChemistryen
local.profile.schoolChemistryen
local.profile.schoolSchool of Science and Technologyen
local.profile.emailtbrown3@une.edu.auen
local.output.categoryC1en
local.record.placeauen
local.record.institutionUniversity of New Englanden
local.identifier.epublicationsrecordune-20110331-091224en
local.publisher.placeUnited States of Americaen
local.format.startpage28en
local.format.endpage34en
local.identifier.scopusid77951623056en
local.peerreviewedYesen
local.identifier.volume136en
local.identifier.issue1-2en
local.contributor.lastnameNguyenen
local.contributor.lastnameKendellen
local.contributor.lastnameLe Minhen
local.contributor.lastnameBrownen
dc.identifier.staffune-id:skendellen
dc.identifier.staffune-id:cleminhen
dc.identifier.staffune-id:tbrown3en
local.profile.orcid0000-0003-0008-1309en
local.profile.roleauthoren
local.profile.roleauthoren
local.profile.roleauthoren
local.profile.roleauthoren
local.identifier.unepublicationidune:7439en
dc.identifier.academiclevelAcademicen
local.title.maintitleMechanistic Investigation into the Rearrangement of Lactone into Methacrylic Acid over Phosphomolybdic Acid Catalysten
local.output.categorydescriptionC1 Refereed Article in a Scholarly Journalen
local.search.authorNguyen, Ngoc Haen
local.search.authorKendell, Shaneen
local.search.authorLe Minh, Camen
local.search.authorBrown, Trevor Cen
local.uneassociationUnknownen
local.identifier.wosid000276903300005en
local.year.published2010en
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