Relative Reactivity of Various Al-substituted-dialkylalans in Reduction of Carbonyl Compounds: A Theoretical Study on Substituent Effect

• Published in: Bulletin of the Korean Chemical Society Vol. 34; no. 8; pp. 2335 - 2339
• Main Authors: Nahm, Keepyung, Cha, Jin Soon
• Format: Journal Article
• Language: Korean
• Published: 2013
• Subjects: Relative reactivity; DFT; Al-substituted-dialkylalan; TS barrier; MPV reduction

Relative reactivity of various Al-substituted dialkylalans ($AlR_2(X)$) in reduction of acetone has been studied with density functional theory and MP2 method. Formation of the alan dimers and the alan-acetone adduct, and the transition state for the Meerwein-Ponndorf-Verley (MPV) type reduction of...