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|Title:||Vibrational spectra and normal coordinate analysis of adrenaline and dopamine|
Kumar, R Thilak
Normal coordinate analysis
Potential energy distribution
|Abstract:||The FTIR and FTRaman spectra for adrenaline and dopamine have been recorded over the region 4000-400 cm⁻¹ and 3500-50 cm⁻¹. Both adrenaline and dopamine molecules belong to the Cs point group. A generalised set of symmetry coordinates has been constructed and hence, potential constants have been evaluated using Wilson’s F-G matrix method. Potential energy distribution has also been calculated for the normal modes of vibration to check whether the chosen set of vibrational frequencies contribute maximum to the potential energy associated with the normal coordinates of the molecule.|
|Appears in Collections:||IJPAP Vol.45(11) [November 2007]|
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