Abstract
We introduce an algebraic model to vibrations of polyatomic Bio-molecules and present, as an example, the vibrational analysis of Cm-H, Cm-C, Cm-D, Cb-Cb, pyrrol breathing and Cb-C, stretching modes of Metalloporphyrins and its substituted forms. The excited energy levels of Cb-C, pyrrol breathing stretching modes of Ni(OEP) and Ni(OEP)-d4 are calculated by using U(2) algebraic mode Hamiltonian. The higher excited energy levels of Cm-H, Cm-C, Cm-D and Cb-Cb vibrational modes of Porphyrin and its substituted forms are predicted upto second overtone. It shows that the energy levels are clustering at the higher overtones. The results obtained by this method are accuracy with experimental data.
Highlights
Measurement of highly-excited overtone-combination spectra of molecules have renewed in a theoretical description and understanding of the observed spectral properties
We begin a systematic analysis of overtonecombination spectra of molecules in terms of novel approach: 3) Vibron model [1,2,3,4]
We have explicitly described with few parameters, the vibrational bands of the triatomic linear molecules HCN, OCS, HCP [5,6,7] and tetratomic molecules HCCF, HCCD by using an algebraic approach [8]
Summary
Measurement of highly-excited overtone-combination spectra of molecules have renewed in a theoretical description and understanding of the observed spectral properties. By making use of the powerful methods of group theory, one is able to obtain the desired results in a much faster and straightforward way In recent years, these polyatomic bio-molecules (i.e Metalloporphyrins) have numerous importances in the field of Chemical Physics. The advantage of the algebraic approach, as compared to that of Dunham or phonological potential models, is that typically it requires few parameters to obtain the same level of accuracy. It provides a simultaneous description of bending and stretching modes [19,20,21,22,23,24,25].
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