Estimate Spring Constant of H2 Molecule for Vibrational Frequency

In summary, to estimate the spring constant for the hydrogen molecule, we can approximate the potential energy curve near r=0.74A and use the second derivative to find k. This gives us a value of approximately 47eV/A^2. From this, we can compute the vibrational frequency using the reduced mass of the proton, which gives us a frequency of 1.5e4Hz. This frequency corresponds to infrared light.
  • #1
GreenLRan
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Estimate the spring constant in units of eV/A^2 for the hydrogen (H2) molecule from the potential energy curve shown below, where r is the distance between protons. From the spring constant and the reduced mass m=1/2m(proton), compute the vibrational frequency. This frequency corresponds to infrared light.

http://geocities.com/greenlran/k.jpg

I tried approximating using V(x)~=V(xe)+1/2k(x-xe)^2 , but i end up with an imaginary term for k. I also tried various other things.. to many to list. but any help would be great!

(correct answer: "approximate V(r) near r=0.74A by V(r)= 1/2k(r-.74)^2 - 4.52eV with k~=47eV/A^2. Freq.(vib)=1/(2pi)*sqrt(2k/m(proton))=1.5e4Hz)
 
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  • #2
hmm, well I am not a homework helper so take my advice with a grain of salt (I am just a sophmore physics major). I had a question very similar to this recently. The effective spring constant is equivolent to the second deriviative of the potential curve evaluated at the minimum point in the potential curve, presumably where the proton will be oscilating. For this curve, at the .74 angstoms. So, were not talking about the Taylor expansion of the entire curve, just the second derivative term.

Further, [tex]w= \sqrt{ \frac{k_{eff}}{m}}[/tex], thus [tex]v= {2}{pi}^{-1} \sqrt{ \frac{k_{eff}}{m}}[/tex] where m=1/2m
 
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1. What is the spring constant of an H2 molecule for vibrational frequency?

The spring constant, also known as the force constant, of an H2 molecule for vibrational frequency is approximately 1.0 x 10-2 N/m. This value is dependent on factors such as the bond length and strength between the two hydrogen atoms.

2. How is the spring constant of an H2 molecule calculated?

The spring constant of an H2 molecule can be calculated using the equation k = mω2, where k is the spring constant, m is the reduced mass of the molecule, and ω is the vibrational frequency. The reduced mass of an H2 molecule is equal to half the mass of a single hydrogen atom.

3. What is the relationship between spring constant and vibrational frequency?

The spring constant and vibrational frequency have an inverse relationship, meaning that as the spring constant increases, the vibrational frequency decreases. This is because a higher spring constant indicates a stronger bond between the atoms, resulting in a higher frequency of vibration.

4. How does the estimate of spring constant for an H2 molecule affect its properties?

The estimate of spring constant for an H2 molecule is directly related to its bond strength and stability. A higher spring constant indicates a more rigid bond, while a lower spring constant suggests a weaker bond. This can affect properties such as boiling point, melting point, and reactivity.

5. Are there any factors that can affect the accuracy of the estimated spring constant for an H2 molecule?

Yes, there are several factors that can affect the accuracy of the estimated spring constant for an H2 molecule. These include the method used to measure the vibrational frequency, the temperature and pressure conditions, and any external forces acting on the molecule. It is important to consider these factors when estimating the spring constant to ensure accurate results.

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