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Analysis of vibrational spectra of nano-bio molecules: Application to metalloporphrins

Chinese Physics B 2013年第9期22卷 225-232页

作者： K Srinivasa Rao G Srinivas J.Vijayasekhar V.U.M.Rao Y.Srinivas K.Sunil Babu V.Sunndadara Siva Kumar a.hanumaiah Department of Electronics & Instrumentation Engineering Lakireddy Bali Reddy College of Engineering Department of Physics KL University Research Scholar Department of MathematicsJawaharlal Nehru Technological University Department of Applied Mathematics College of Science & TechnologyAndhra University Department of Computer Science GITAM University Department of Physics Miracle Engineering College Department of Electronics & Instrumentation Rajeev Gandhi Memorial Engineering College Department of Physics Lara's Vignan Institute of Technology and Science

In this paper, we have applied the Lie algebraic model to nano-bio molecules to determine the vibrational spectra of different stretching and bending vibrational modes. The determined vibrational energy levels by the Lie algebraic model are compared with the experimental data. The results from the theoretical mode[ are consistent with the experimental data. The vibrational energy levels are clustering in the excited states.

关键词： Lie algebraic model vibrational spectra vibrational modes metalloporphyrins

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Vibrational spectra of distorted structure Macro &Nano molecules: An algebraic approach

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Journal of Biophysical Chemistry 2012年第3期3卷 259-268页

作者： Srinivasa Rao Karumuri J. Vijayasekhar Velagapudi Uma Maheswara Rao Ganganagunta Srinivas Aappikatla.hanumaiah Department of Electronics & Instrumentation Lakireddy Bali Reddy College of Engineering Mylavaram India Department of Mathematics GITAM University Hyderabad India Department of Applied Mathematics Andhra University Vishakhapatnam India Department of Physics KL University Guntur India Department of Sciences & Humanities Lara Vigyan Institute of Science & Technology Vadlamudi India

Using the Lie algebraic method the vibrational frequencies of 97 resonances Raman lines (A1g + B1g + A2g + B2g) and 38 infrared bands (Eu) of octaethylporphyrinato-Ni (II) and its mesodeuterated and 15N-substituted derivates and Fullerenes C60 and Cv70 of 7 vibrational bands are calculated using U(2) algebraic Hamiltonian with four fitting algebraic parameters. The results obtained by the algebraic technique have been compared with experimental data;and they show great accuracy.

关键词： Lie Algebra Vibrational Spectra Ni (OEP) Ni (OEP)-d4 & Ni (OEP)-N4 and Fullerenes

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A Study on Vibrational Spectra of PH3 and NF3: An Algebraic Approach

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Open Journal of Microphysics 2013年第2期3卷 47-51页

作者： S. R. Karumuri G. Srinivas Vijayasekhar Jaliparthi K. Sunil Babu V. Sundara Siva Kumar A. hanumaiah Department of Electronics & Instrumentation Engineering Lakireddy Bali Reddy College of Engineering Vijayawada India Department of Physics KL University Guntur India Research Scholar Department of Mathematics Jawaharlal Nehru Technological University Kakinada India Department of Physics Miracle Engineering College Bhogapuram India Department of Electronics & Instrumentation Rajeev Gandhi Memorial Engineering College Nandyal India Department of Physics Lara’s Vignan Institute of Technology and Science Vadlamudi India

With the new theoretical approach i.e. lie algebraic approach, we have calculated the infrared spectra of Phosphine in the range from 3000 cm-1 to 9500 cm-1 and Nitrogen Trifluoride in the range from 900 cm-1 to 4500 cm-1. The model Hamiltonian, so constructed, seems to describe the P-H and N-F stretching modes accurately with only four numbers of parameters.

关键词： Vibrational Spectra Lie Algebraic Model Hamiltonian

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