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Calculation of vibrational spectra of some tetraphenyl porphyrins

Authors :
K. Girija Sravani
K. Srinivasa Rao
Source :
Molecular Physics. 114:643-649
Publication Year :
2016
Publisher :
Informa UK Limited, 2016.

Abstract

In this paper, we report vibrational energy levels of some tetraphenylporphyrins and its cation radicals, i.e. Cu[TPP], Cu[TPP]+, Ni(TPP), Ni(TPP)+, ClFe(TPP) and ClFe(TPP)+ using U(2) algebraic model Hamiltonian. In our study, we have used five fitting parameters which provide better comparisons between the experimental and theoretical calculations throughout the study. RMS deviation has been improved in this paper due to the inclusion of intermode couplings in algebraic model.Structure of metalloporphyrinsIn our work, we study the spectroscopic features of some biomolecules using Lie algebraic methods. This will be sought to be accomplished by studying the different vibrational energy levels as function of vibrational quantum numbers for certain biomolecules. Possibilities of local-to-normal transition in viable cases will be taken into consideration. In addition, new vibrational parameters for certain biomolecules will be sought to be identified for cases where Lie algebraic approach has not be...

Details

ISSN :
13623028 and 00268976
Volume :
114
Database :
OpenAIRE
Journal :
Molecular Physics
Accession number :
edsair.doi...........76a0b065e02cad60f5cc69cad4c46bff
Full Text :
https://doi.org/10.1080/00268976.2015.1110628