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Published:
Sep 14, 2024DOI:
10.4314/mejs.v16i2.6Keywords:
Article Details
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Main Article Content
Vibrational Frequencies of Tetrachloroethylene using Lie Algebraic Framework
Sreenivas Teppala
Vijayasekhar Jaliparthi
Abstract
This study employs a sophisticated computational approach to predict tetrachloroethylene's higher overtone vibrational frequencies (C2Cl4) up to the fourth overtone. We utilize a Lie algebraic framework within the context of the vibrational Hamiltonian. The method involves replacing tetrachloroethylene's carbon-chlorine (C-Cl) bonds with unitary Lie algebras. The resulting Hamiltonian is written in terms of Casimir and Majorana's invariant operators and parameters. The derived Hamiltonian operator effectively characterizes the stretching vibrations inherent to the molecular structure. This approach enhances our understanding of the vibrational dynamics of tetrachloroethylene at higher overtones, offering valuable insights for applications in diverse scientific and technological fields.
