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Vibrational spectroscopy of C<sub>m</sub>–H, C<i><sub>β</sub></i>–C<i><sub>β</sub></i>stretching vibrations of Nickel metalloporphyrins: An algebraic approach
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Citations
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References
2008
Year
EngineeringNi PorphyrinAlgebraic ApproachComputational ChemistryChemistryNickel Porphyrins MoleculesSpectroscopic PropertySpectra-structure CorrelationVibronic InteractionVibrationsPhysicsInfrared SpectroscopyPhysical ChemistryQuantum ChemistryMolecular ChemistryNickel MetalloporphyrinsAlgebraic ModelNatural SciencesSpectroscopyApplied PhysicsSpectroscopic Method
Abstract An algebraic model of coupled anharmonic oscillators is introduced, capable of describing the stretching vibrations of medium and large polyatomic molecules. This model is applied to the calculation of Cm–H and C β –C β vibrational modes of nickel octaethyl porphyrins and nickel porphyrins molecules. The model appears to describe the data accurately. Keywords: Lie algebravibrational spectraNi (OEP) and Ni porphyrin Acknowledgements The author Srinivasa Rao Karumuri and co-authors thank Professor S. Oss for providing useful discussions for this study. The authors R. Bhattacharjee and Srinivasa Rao Karumuri thank DST, New Delhi, India, for providing a research grant.
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