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|Title:||Spectroscopic and thermodynamic analysis of enolic form of 3-oxo-L-gulofuranolactone|
|Keywords:||FTIR;FT Raman spectra;Molecular mechanics;Vibrational band assignment;Thermodynamic functions|
|IPC Code:||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.|
|ISSN:||0975-1041 (Online); 0019-5596 (Print)|
|Appears in Collections:||IJPAP Vol.43(06) [June 2005]|
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