Calculation of Vibrational Frequencies of Sulfur Dioxide by Lie Algebraic Framework

M.R. Ballaa, S. Venigallab, V. Jaliparthic aDepartment of Physics, School of Science, GITAM Deemed-to-be-University, Rudraram, 502329, Hyderabad, India bDepartment of Chemistry, A.G. & S.G. Siddhartha Degree College of Arts & Science, Vuyyuru, 521165, Vijayawada, India cDepartment of Mathematics, School of Science, GITAM Deemed-to-be-University, Rudraram, 502329, Hyderabad, India

Full Text PDF

In this paper, we have demonstrated the application of the U(2) Lie algebraic method to predict the vibrational frequencies of sulfur dioxide (SO2). A Hamiltonian that preserves the C2ν point group symmetry of the molecule is devised using three interacting Morse oscillators. Root mean square deviation of the calculated vibrational frequencies is found to be 1.054 cm-1 with reference to their experimental values. This asserts that the U(2) Lie algebraic method is successful in calculating the fundamental vibrational frequencies, and their higher overtones near to the spectroscopic level of accuracy.

DOI:10.12693/APhysPolA.140.138 topics: vibrational frequencies, sulfur dioxide, U(2) Lie algebraic method