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https://www.ias.ac.in/article/fulltext/pram/072/03/0517-0525

Lie algebra; vibrational spectra; Ni(OEP); Ni porphyrin; Ni(TPP).

One of the most interesting areas of current research in molecular physics is the study of the vibrationally excitated states of medium and large molecules. In view of the considerable amount of experimental activity in this area, one needs theoretical models within which to interpret experimental data. Using Lie algebraic method, the vibrational energy levels of nickel metalloporphyrins like Ni(OEP), Ni porphyrin and Ni(TPP) are calculated for 16 vibrational modes. The algebraic Hamiltonian $H = E_{0} + \sum_{i=1}^{n} A_{i}C_{i} + \sum_{i < j} A_{ij}C_{ij} + \sum_{i < j}^{n} \lambda_{ij}M_{ij}$, where $A_{i}$, $A_{ij}$ and $\lambda_{ij}$ are the algebraic parameters which vary from molecule to molecule and $C_{i}$, $C_{ij}$ and $M_{ij}$ are algebraic operators. The vibrational energy levels are calculated using algebraic model Hamiltonian and the results are compared with the experimental values. The results obtained by this model are very accurate.

Srinivasa Rao Karumuri¹ Joydeep Choudhury¹ Nirmal Kumar Sarkar² Ramendu Bhattacharjee¹

1. Department of Physics, Assam University, Silchar 788 011, India
2. Department of Physics, Karimgang College, Karimgang 788 710, India

Published

March 2009

Manuscript received

8 April 2008

Manuscript revised

5 August 2008

Accepted

14 October 2008