Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1236324 | Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy | 2006 | 8 Pages |
Abstract
The vibrational spectra of 2,3-dihydroxy pyridine (DHP) and 2,4-dihyroxy-3-nitropyridine (DHNP) have been computed using B3LYP methodology and 6-31G** basis set. The solid phase FTIR and FT Raman spectra were recorded in the region 4000-400 and 3500-100Â cmâ1, respectively. A close agreement was achieved between the observed and calculated frequencies by refinement of the scale factors.
Related Topics
Physical Sciences and Engineering
Chemistry
Analytical Chemistry
Authors
V. Krishnakumar, S. Muthunatesan,