Vibrational Frequencies of Phosphorus Trichloride with the Vibrational Hamiltonian

  • J. Vijayasekhar Department of Mathematics, GITAM (Deemed to be University), Hyderabad, India https://orcid.org/0000-0002-2745-7401
  • K. Lavanya Department of Mathematics, St. Francis College for Women, Begumpet, Hyderabad, India; Department of Mathematics, GITAM (Deemed to be University), Hyderabad, India
  • M.V. Phani Kumari Department of Mathematics, GITAM (Deemed to be University), Hyderabad, India
DOI: https://doi.org/10.26565/2312-4334-2024-2-52
Keywords: Molecular Physics, Vibrational frequencies, Phosphorus trichloride, Vibrational Hamiltonian, Lie algebraic method

Abstract

This study presents an approach for precisely determining the stretching vibrational frequencies of the P-Cl bond in phosphorus trichloride (PCl3) using a vibrational Hamiltonian framework that maintains the C3v symmetry point group. Our methodology enables the accurate prediction of vibrational frequencies up to the fifth overtone. It identifies related combination bands, marking a significant advancement in vibrational spectroscopy and molecular modelling. By enhancing the accuracy and depth of our understanding of molecular vibrations, this research paves the way for developing more sophisticated computational models, thereby significantly improving the precision of chemical analyses, and contributing to the broader field of chemical physics.

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Published
2024-06-01
Cited
How to Cite
Vijayasekhar, J., Lavanya, K., & Phani Kumari, M. (2024). Vibrational Frequencies of Phosphorus Trichloride with the Vibrational Hamiltonian. East European Journal of Physics, (2), 407-410. https://doi.org/10.26565/2312-4334-2024-2-52
Issue
No. 2 (2024): East European Journal of Physics
Section
Original Papers

Copyright (c) 2024 K. Lavanya, M.V. Phani Kumari, J. Vijayasekhar

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