Estimating the vibrational frequency of Hydrogen molecule

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SUMMARY

The discussion focuses on estimating the vibrational frequency of the hydrogen molecule (H2) using the Morse potential model. The potential energy function is defined as V(r) = B[1 − exp(−β(r−r0 ))]^2 − B, where parameters B, r0, and β are specified for H2. The calculated frequency of small vibrations using the harmonic oscillator approximation yields ω = 2Bβ^2 / μ, resulting in a frequency of 4.17 x 10^12 Hz, which is significantly lower than the observed frequency of 1.32 x 10^14 Hz. The discrepancy is attributed to the incorrect mass unit used in calculations.

PREREQUISITES
  • Understanding of Morse potential in molecular physics
  • Familiarity with harmonic oscillator models
  • Knowledge of Taylor expansion techniques
  • Basic concepts of mass and unit conversions in physics
NEXT STEPS
  • Study the derivation of the Morse potential and its applications in molecular vibrations
  • Learn about the harmonic oscillator model in quantum mechanics
  • Explore unit conversion techniques for mass in physics calculations
  • Investigate the significance of vibrational frequencies in diatomic molecules
USEFUL FOR

Students and researchers in molecular physics, particularly those studying vibrational spectroscopy and the behavior of diatomic molecules like hydrogen.

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Homework Statement


A diatomic molecule, when excited, can vibrate in such a way that the relative distance
between the two atoms, r(t), executes periodic oscillations. If the potential energy of the
molecule as a function of r is given by V (r), the time dependence of r(t) is identical to that
of a particle of reduced mass

μ= m1 m2/ (m1 + m2)

moving in the potential V (r). An analytic expression which is sometimes used to approximate the actual interatomic interaction is the Morse potential,
V (r) = B[1 − exp(−β(r−r0 ))]^2 − B

B is the depth of the well, r0 is the equilibrium separation, and β is a parameter which
governs how rapidly the energy rises as one moves away from the equilibrium position.

(3.a) Find the frequency of small classical vibrations about the minimum of the Morse
potential in terms of B, r0 , and β.

(3.b) For the molecule H2 , β = 1.93 Angstrom-1 , r0 = 0.74 angstrom, and B = 4.8 eV. The mass of a hydrogen atom is 1.67 × 10^ -24 grams. What is the frequency of small vibrations? The observed vibrational frequency is 1.32 × 10^14 Hz.



Homework Equations





The Attempt at a Solution



I used Taylor expansion to expand the exponent in V(r) and get, to first order,
V = Bβ^2(r-r0)^2 - B
Compare this to the energy for harmonic oscillator, I conclude that
ω = 2Bβ^2 / μ

Putting in the numbers give me a frequency of 4.17 x 10^12 Hz, which is two orders off.
 
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Did you take care of the mass units? g or kg?
 
oh I got it! Thanks a lot
 

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