IQUIR 05412
INSTITUTO DE QUIMICA ROSARIO
Unidad Ejecutora - UE
artículos
Título:
Theoretical insight into the pyrolytic deformylation of levoglucosenone and isolevoglucosenone
Autor/es:
SAROTTI, A.M.*
Revista:
CARBOHYDRATE RESEARCH
Editorial:
ELSEVIER SCI LTD
Referencias:
Lugar: Amsterdam; Año: 2014 vol. 390 p. 76 - 80
ISSN:
0008-6215
Resumen:
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.
