1979Canadian Journal of ChemistryOpen access

Vibrational theory of polyatomic molecules: energy levels of CH4/CD4 and CH3Cl/CD3Cl

Jan Bron, R. Wallace

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Abstract

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.

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Available abstract

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

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Vibrational theory of polyatomic molecules: energy levels of CH4/CD4 and CH3Cl/CD3Cl — Research Paper | ScholarLens