Citation: Qi Gang Deng, De Rui Zhou. Three competitive dissociation pathways of glyoxalate[J]. Chinese Chemical Letters, ;2008, 19(12): 1513-1516. doi: 10.1016/j.cclet.2008.09.045 shu

Three competitive dissociation pathways of glyoxalate

Qi Gang Deng ^a,b, ,
De Rui Zhou ^b

a School of Chemistry and Chemical Engineering, Qiqihar University, Qiqihar 161006, China;
b Department of Applied Chemistry, Harbin Institute of Technology, Harbin 150001, China

Received Date: 2 June 2008

Fund Project: This research was financially supported by the Research Project of Department of Education of Heilongjiang Province (No. 11531415).

Three possible lower barrier dissociation pathways of the deportonated glyoxylic acid in aqueous solution axe predicated by means of B3LYP and CCSD(T) (single-point) methods. The calculated results suggest that the formation of formate ion is the energetically most favorable process, and that the decomposition reaction is occurring through nucleophilic attack of negatively charged carboxylic oxygen on the a-carbon. This is in good agreement with the proposed mechanisms of the mass spectrometry experiment.
- Ab initlo,
- Glyoxalate,
- Dissociation pathways
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