Article ID Journal Published Year Pages File Type
9756957 Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 2005 8 Pages PDF
Abstract
The vibrational spectra of 3,4-diamino benzophenone (DABP) have been computed using B3LYP methodology and 6-31G* and 6-31G** basis sets. The solid phase FTIR and FT-Raman spectra were recorded in the region 4000-400 cm−1 and 3500-100 cm−1, respectively. A close agreement was achieved between the observed and calculated frequencies by employing normal coordinate calculations. The observed and simulated spectra were found to be well comparable.
Related Topics
Physical Sciences and Engineering Chemistry Analytical Chemistry
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