Vibrational spectra of nickel metalloporphyrins: An algebraic approach

Pramana

Ramendu Bhattacharjee¹  Nirmal Kumar Sarkar²  Joydeep Choudhury¹  Srinivasa Rao Karumuri1¹ 

[1] Department of Physics, Assam University, Silchar 788 011, India$$;Department of Physics, Karimgang College, Karimgang 788 710, India$$

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

DOI  :  

学科分类：物理（综合）

来源: Indian Academy of Sciences

【 摘 要 】

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 $$H = E_{0} + sum_{i=1}^{n} A_{i}C_{i} + sum_{i < j} A_{ij}C_{ij} + sum_{i < j}^{n} 𝜆_{ij}M_{ij}$,$$where 𝐴𝑖, 𝐴𝑖𝑗 and 𝜆𝑖𝑗 are the algebraic parameters which vary from molecule to molecule and 𝐶𝑖, 𝐶𝑖𝑗 and 𝑀𝑖𝑗 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.

【 授权许可】

Unknown