Vibrational theory of polyatomic molecules: energy levels of CH4/CD4 and CH3Cl/CD3Cl
Jan Bron, R. Wallace
Abstract
Open-access reader
Jan Bron, R. Wallace
Abstract
Open-access reader
A relatively simple model, previously used to describe polyatomic vibrations of nonlinear triatomic molecules, has been employed to evaluate the fundamentals, first overtones and combination bands of CX4 and CX3Cl (X = H, D). Relatively good agreement is obtained between calculated and observed frequencies. Interesting splittings of certain overtone and combination bands result from these calculations.
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A relatively simple model, previously used to describe polyatomic vibrations of nonlinear triatomic molecules, has been employed to evaluate the fundamentals, first overtones and combination bands of CX4 and CX3Cl (X = H, D). Relatively good agreement is obtained between calculated and observed frequencies. Interesting splittings of certain overtone and combination bands result from these calculations.
Key concepts: Polyatomic ion, Overtone, Triatomic molecule, Chemistry, Molecule, Atomic physics, Vibrational energy, Computational chemistry