Theoretical study of Al(III)-catalyzed conversion of glyoxal to glycolic acid: dual activated 1,2-hydride shift mechanism by protonated Al(OH)3 species.
نویسندگان
چکیده
Density functional theory calculations demonstrate that Al(III)-catalyzed conversion of glyoxal to glycolic acid proceeds via a 7-membered dual Lewis acid-hydrogen bonding activation transition state of the 1,2-hydride shift, rather than the previously proposed 5-membered metal-alkoxide chelate activation transition state.
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عنوان ژورنال:
- Chemical communications
دوره 19 شماره
صفحات -
تاریخ انتشار 2009