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BIBTEX RIS

Mechanism of the Methyltrioxorhenium‐Catalyzed Deoxydehydration of Polyols: A New Pathway Revealed

2013; Wiley; Volume: 19; Issue: 12 Linguagem: Inglês

10.1002/chem.201204001

ISSN

1521-3765

Autores

Shuanglin Qu, Yanfeng Dang, Mingwei Wen, Zhixiang Wang,

Tópico(s)

Catalysis for Biomass Conversion

Resumo

Polyols pathway probed: Density functional theory computations reveal that the methyltrioxorhenium-catalyzed deoxydehydration of polyols follows pathway C, which is energetically more favorable than the previously proposed pathways A and B (see scheme). In addition to serving as solvent/reductant, the alcohol also acts as a shuttle to greatly facilitate various hydrogen-transfer steps.

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