Question: a. In this chapter, the assumption was made that the harmonic oscillator model is valid such that anharmonicity can be neglected. However, anharmonicity can be

a. In this chapter, the assumption was made that the harmonic oscillator model is valid such that anharmonicity can be neglected. However, anharmonicity can be included in the expression for vibrational energies. The energy levels for an anharmonic oscillator are given by

hcžỹ E, = hcv| n +

Neglecting zero-point energy, the energy levels become En = hcν̅n €“ hcχ̅ ν̅n2 +... 

Using the preceding expression, demonstrate that the vibrational partition function for the anharmonic oscillator is

Яу anharmone — qr ham.(1 + Bhcjva ham. (e 20in + e Bim)

In deriving the preceding result, the following series relationship will prove useful:

b. For €“1 H2, ν̅ = 4401.2 cm and χ̅ Î½Ì… = 121.3 cm€“1. Use the result from part (a) to determine the percent error in qV if anharmonicity is ignored.

hc E, = hcv| n + anharmone qr ham.(1 + Bhcjva ham. (e 20in + e Bim)

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