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dc.contributor.author
Sarotti, Ariel Marcelo  
dc.date.available
2016-06-01T16:52:35Z  
dc.date.issued
2014-04  
dc.identifier.citation
Sarotti, Ariel Marcelo; Theoretical insight into the pyrolytic deformylation of levoglucosenone and isolevoglucosenone; Elsevier; Carbohydrate Research; 390; 4-2014; 76-80  
dc.identifier.issn
0008-6215  
dc.identifier.uri
http://hdl.handle.net/11336/6002  
dc.description.abstract
A 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.format
application/pdf  
dc.language.iso
eng  
dc.publisher
Elsevier  
dc.rights
info:eu-repo/semantics/openAccess  
dc.rights.uri
https://creativecommons.org/licenses/by-nc-nd/2.5/ar/  
dc.subject
Levoglucosenone  
dc.subject
Isolevoglucosenone  
dc.subject
Pyrolytic Deformylation  
dc.subject
3-Oxidopyrylium  
dc.subject
Dft  
dc.subject.classification
Química Orgánica  
dc.subject.classification
Ciencias Químicas  
dc.subject.classification
CIENCIAS NATURALES Y EXACTAS  
dc.title
Theoretical insight into the pyrolytic deformylation of levoglucosenone and isolevoglucosenone  
dc.type
info:eu-repo/semantics/article  
dc.type
info:ar-repo/semantics/artículo  
dc.type
info:eu-repo/semantics/publishedVersion  
dc.date.updated
2016-06-01T13:47:17Z  
dc.journal.volume
390  
dc.journal.pagination
76-80  
dc.journal.pais
Países Bajos  
dc.journal.ciudad
Amsterdam  
dc.description.fil
Fil: Sarotti, Ariel Marcelo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Rosario. Instituto de Química Rosario; Argentina  
dc.journal.title
Carbohydrate Research  
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/http://www.sciencedirect.com/science/article/pii/S0008621514001219  
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1016/j.carres.2014.03.017  
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/10.1016/j.carres.2014.03.017