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Structure, Reactivity and Thermochemical Properties of Protonated Lactic Acid by Florence Berruyer‐Penaud; Guy Bouchoux; Olivier Payen; Michel Sablier is a Chemistry article available to read on EtoBox.
What is Structure, Reactivity and Thermochemical Properties of Protonated Lactic Acid about?
The protonation energetics of lactic acid (LA) were experimentally determined by the kinetic method including the entropy effect. The values (proton affinity, PA(LA) = 817.4 +/- 4.3 kJ mol(-1); protonation entropy, DeltaS degrees (p)(LA) = -2 +/- 5 J K(-1) mol(-1); gas-phase basicity, GB(LA) = 784.5 +/- 4.5 kJ mol(-1)) agree satisfactorily with computed G2(MP2) expectations (PA(LA) = 811.8 kJ mol(-1); DeltaS degrees (p)(LA) = -7.1 J K(-1) mol(-1); GB(LA) = 777.4 kJ mol(-1)). The fragmentation behaviour of protonated lactic acid (LAH(+)) is dominated by carbon monoxide loss followed by elimination of a water molecule. Direct dehydration of LAH(+) is only a high-energy process hardly competitive with the CO loss. A complete mechanistic scheme, based on MP2/6-31G\* calculations, is proposed; it involves isomerization of the various protonated forms of LA and the passage through the ion-neutral complex between the 2-hydroxypropyl acylium cation and a water molecule.
Who reads Structure, Reactivity and Thermochemical Properties of Protonated Lactic Acid?
It is typically read by researchers, students, and practitioners in Chemistry.
- Author
- Florence Berruyer‐Penaud; Guy Bouchoux; Olivier Payen; Michel Sablier
- Publisher
- John Wiley and Sons; Wiley (John Wiley & Sons); Wiley-Blackwell; Wiley-Liss Inc; John Wiley & Sons Inc.; Wiley; Heyden And Son (ISSN 1076-5174)
- Published
- 2004
- Language
- EN
- Field
- Chemistry (Physical Sciences)