Please use this identifier to cite or link to this item: http://nopr.niscpr.res.in/handle/123456789/20092
Title: Spectroscopic studies on the interaction between methyl glyoxal and ascorbic acid: Some experimental and theoretical aspects
Authors: Banerjee, D
Koll, A
Filarowski, A
Bhattacharyya, S P
Mukherjee, S
Issue Date: Mar-2005
Publisher: NISCAIR-CSIR, India
IPC Code: Int. Cl.7 G01J3/44; G01R33/20
Abstract: The interaction between methyl glyoxal (MG) and ascorbic acid (AA) has been studied both theoretically and experimentally using NMR and Raman spectroscopic techniques. A plausible explanation for the spectral changes has been suggested on the basis of hydrogen bonding interaction between the interacting species. The energetics of the interaction between MG and AA has been studied at the AM1 level of approximation. The H ... O distance in the -CH2OH ... O=C-fragment of the hydrogen bonded complex turns out to be quite small (2.22 Å). Ab initio calculations with DFT B3LYP/6/31 G(d,p) basis sets have been used to get confirmative evidences about the hydrogen bonded complex.
Page(s): 451-455
ISSN: 0975-0975(Online); 0376-4710(Print)
Appears in Collections: IJC-A Vol.44A(03) [March 2005]

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