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11 Nov 2019
Part D?
Consider the H2 molecule: The force constant of H2 is k = 510 N/m. Calculate the fundamental vibrational frequency (in units of cm-1), the zero-point energy (i.e. energy of the ground vibrational state) in Joules, and the energies of the first two excited vibrational states, assuming that the H2 molecules behaves as a simple harmonic oscillator. a. b. When an IR spectrum of H2 is measured experimentally, no actual absorption of IR light is observed at the vibrational frequency calculated above (or at any other frequency for that matter). Why? c. An analytical expression that provides a good approximation to a potential energy curve for a real diatomic molecule as a function of the internuclear separation, x, is a so-called Morse potential given by: V(x) = D(1-e-β(x-Re))2 where Re is the equilibrium bond distance, and parameters D and β represent the dissociation energy of the molecule and the measure of curvature of V (x) at its minimum. Given that for H2 we have k 510 N/m, R.-74.1 pm, D 7.61 x 10-19 J and β-0.0193 pm2, on the same graph: plot the harmonic oscillator potential V(x) =-k (x-Ref for pm i. between 0 and 400
Part D?
Consider the H2 molecule: The force constant of H2 is k = 510 N/m. Calculate the fundamental vibrational frequency (in units of cm-1), the zero-point energy (i.e. energy of the ground vibrational state) in Joules, and the energies of the first two excited vibrational states, assuming that the H2 molecules behaves as a simple harmonic oscillator. a. b. When an IR spectrum of H2 is measured experimentally, no actual absorption of IR light is observed at the vibrational frequency calculated above (or at any other frequency for that matter). Why? c. An analytical expression that provides a good approximation to a potential energy curve for a real diatomic molecule as a function of the internuclear separation, x, is a so-called Morse potential given by: V(x) = D(1-e-β(x-Re))2 where Re is the equilibrium bond distance, and parameters D and β represent the dissociation energy of the molecule and the measure of curvature of V (x) at its minimum. Given that for H2 we have k 510 N/m, R.-74.1 pm, D 7.61 x 10-19 J and β-0.0193 pm2, on the same graph: plot the harmonic oscillator potential V(x) =-k (x-Ref for pm i. between 0 and 400
Beverley SmithLv2
17 Jul 2019