Srinivasa Rao Karumuri

An algebraic approach to the comparative study of the vibrational spectra of monofluoroacetylene (HCCF) and deuterated acetylene (HCCD)

Using the Lie algebraic method the vibrational energy levels of HCCF and HCCD are calculated for 102 and 110 vibrational bands, respectively, using the local Hamiltonian. A comparative study is made between the two. Better results are obtained than those published earlier from local mode analysis.

Vibrational spectroscopy of Cm–H, C β –C β stretching vibrations of Nickel metalloporphyrins: An algebraic approach

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.

Vibrational Spectroscopy of CH/CD Stretches in Propadiene: An Algebraic Approach

Using Hamiltonian based on Lie algebraic method, the stretching vibrational modes of C3H4 and C3D4 molecules are calculated up to higher overtones. The model appears to describe C–H and C–D stretching modes with less number of parameters. The locality parameter & confirms the highly local behaviour of the stretching modes of these molecules.

Vibrational Spectroscopy of Stretching and Bending Modes of Nickel Tetraphenyl Porphyrin: an Algebraic Approach

We calculate the vibrational frequencies of nickel tetraphenyl porphyrin for 36 vibrational bands by using the U(2) algebraic approach. The algebraic parameters in the calculations are accurate with the experimental data.

Vibrational Spectra of Distorted Structure Molecules by Using Lie Algebraic Techniques: an Application to Copper and Magnesium Octaethyl Porphyrin

Using a U (2) algebraic model the fundamental stretching vibrations of copper octaethyl porphyrin and magnesium octaethyl porphyrin are calculated for 24 vibrational bands. The locality parameter ξ confirms the highly local behavior of the stretching modes of these porphyrin molecules. The model Hamiltonian so constructed appears to describe the vibrational energy levels accurately.

Spectroscopic Studies of Distorted Structure Systems in the Vibron Model: Application to Porphyrin and Its Isotopomers

We have introduced an algebraic technique to biomolecules (porphyrins) family to determine the vibrational spectra. We present an algebraic model of vibrations of polyatomic biomolecules, as an example, the vibrational analysis of stretching modes of nickel octaetheylporphyrin (Ni(OEP)) and its isotopomers. The algebraic technique obtained the results are compared with experimental data; the results are showing good accuracy. Some reassignments of energy levels that predict location of energy states not yet observed.