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dc.provenanceCONICET-
dc.creatorSarotti, Ariel Marcelo-
dc.date2016-06-01T16:52:35Z-
dc.date2016-06-01T16:52:35Z-
dc.date2014-04-
dc.date2016-06-01T13:47:17Z-
dc.date.accessioned2019-04-29T15:36:42Z-
dc.date.available2019-04-29T15:36:42Z-
dc.date.issued2014-04-
dc.identifierSarotti, Ariel Marcelo; Theoretical insight into the pyrolytic deformylation of levoglucosenone and isolevoglucosenone; Elsevier; Carbohydrate Research; 390; 4-2014; 76-80-
dc.identifier0008-6215-
dc.identifierhttp://hdl.handle.net/11336/6002-
dc.identifier.urihttp://rodna.bn.gov.ar:8080/jspui/handle/bnmm/297715-
dc.descriptionA computational study was conducted to gain insight into the pyrolytic deformylations of levoglucose-none and isolevoglucosenone. Present B3LYP/6-31G* and CBS QB3 calculations provide valuable evidence to rule out the formation of isolevoglucosenone during the pyrolytic degradation of cellulosic materials. This, along with the supplementary data herein presented and with other recent reports, suggest that levoglucosenone should not be formed directly from levoglucosan (as proposed in numerous reports), but rather from another intermediate, such as 1,4:3,6-dianhydro-a- D -glucopyranose.-
dc.descriptionFil: Sarotti, Ariel Marcelo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Rosario. Instituto de Química Rosario; Argentina-
dc.formatapplication/pdf-
dc.formatapplication/pdf-
dc.languageeng-
dc.publisherElsevier-
dc.relationinfo:eu-repo/semantics/altIdentifier/url/http://www.sciencedirect.com/science/article/pii/S0008621514001219-
dc.relationinfo:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1016/j.carres.2014.03.017-
dc.relationinfo:eu-repo/semantics/altIdentifier/doi/10.1016/j.carres.2014.03.017-
dc.rightsinfo:eu-repo/semantics/restrictedAccess-
dc.rightshttps://creativecommons.org/licenses/by-nc-nd/2.5/ar/-
dc.sourcereponame:CONICET Digital (CONICET)-
dc.sourceinstname:Consejo Nacional de Investigaciones Científicas y Técnicas-
dc.sourceinstacron:CONICET-
dc.source.urihttp://hdl.handle.net/11336/6002-
dc.subjectLEVOGLUCOSENONE-
dc.subjectISOLEVOGLUCOSENONE-
dc.subjectPYROLYTIC DEFORMYLATION-
dc.subject3-OXIDOPYRYLIUM-
dc.subjectDFT-
dc.subjectQuímica Orgánica-
dc.subjectCiencias Químicas-
dc.subjectCIENCIAS NATURALES Y EXACTAS-
dc.titleTheoretical insight into the pyrolytic deformylation of levoglucosenone and isolevoglucosenone-
dc.typeinfo:eu-repo/semantics/article-
dc.typeinfo:eu-repo/semantics/publishedVersion-
dc.typeinfo:ar-repo/semantics/articulo-
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