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Title: Spectroscopic and thermodynamic analysis of enolic form of 3-oxo-L-gulofuranolactone
Authors: Srinivasan, S
Gunasekaran, S
Ponnambalam, U
Savarianandam, A
Gnanaprakasam, S
Natarajan, S
Keywords: FTIR
FT Raman spectra
Molecular mechanics
Vibrational band assignment
Thermodynamic functions
Issue Date: Jun-2005
Publisher: CSIR
Series/Report no.: G01J 3/28
Abstract: A qualitative analysis of the enolic form of 3-oxo-L-gulofuranolactone (ascorbic acid) has been made by a satisfactory vibrational band assignment using FTIR and FT Raman spectra. The calculated theoretical vibrational frequencies are compared with the experimental frequencies by employing the molecular mechanics method using MM3 force field. The observed frequencies are used to compute the thermodynamic functions, namely, the entropy, heat capacity and heats of formation using standard expressions, at one atmospheric pressure in the 298-398 K temperature range.
Description: 459-462
ISSN: 0975-1041 (Online); 0019-5596 (Print)
Appears in Collections:IJPAP Vol.43(06) [June 2005]

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