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Vibrational spectrum and normal coordinate calculations of the salicylic acid molecule
40
Citations
5
References
1983
Year
Spectroscopic MethodMolecular SpectroscopyEngineeringNatural SciencesSpectroscopyInfrared SpectroscopyObserved RamanConformational StudySpectra-structure CorrelationPhysical ChemistrySalicylic Acid MoleculeSymmetry CharacteristicsComputational ChemistryQuantum ChemistryChemistryVibrational SpectrumBiophysicsNormal Coordinate Calculations
Abstract Normal coordinate calculations for the salicylic acid molecule have been performed and the assignment of the observed Raman and IR spectra is proposed. The anomalous splittings observed for CO stretching modes are accounted for by specific interactions due to the symmetry characteristics and by possible conformational changes in the solution.
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