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

Takashi Ohshima, Yoshihiro Yamamoto, Usaji Takaki, Yoshihisa Inoue, Takuya Saeki, Kenji Itou, Yusuke Maegawa, Takanori Iwasaki, Kazushi Mashima

Research output: Contribution to journalArticle

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Abstract

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.

Original languageEnglish
Pages (from-to)2688-2690
Number of pages3
JournalChemical Communications
Issue number19
DOIs
Publication statusPublished - 2009
Externally publishedYes

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All Science Journal Classification (ASJC) codes

  • Catalysis
  • Electronic, Optical and Magnetic Materials
  • Ceramics and Composites
  • Chemistry(all)
  • Surfaces, Coatings and Films
  • Metals and Alloys
  • Materials Chemistry

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