Calculation of bond length using Raman spectra

In summary, to calculate the bond length from a Raman spectra of hydroxyapatite, you can use Badger's rule and a bond length-frequency correlation plot. First, gather references on hydroxyapatite and its vibration frequency and bond length. Then, use the Badger's rule equation to fit the plot and extrapolate the bond length from the Raman peak frequency. Additional articles on the topic can provide useful information.
  • #1
marielescobal
4
0
Hi, I really need your help.

Suppose I have a Raman spectra of a hydroxyapatite, how do I calculate the bond length from the spectra? I've been trying to understand the concept of Badger's rule but I really cannot understand. Please help.
 
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  • #2
I'm not a professional in this area, but I suspect that you can look for references on hydroxyapatite (experimental and/or theoretical) on the vibration frequency (IR, Raman, Quantum chemical calculations) and bond length (XRD, EXAFS, etc). You can then draw a bond length-frequency correlation plot, and use the Badger's rule equation to fit it. You will get the necessary constants to complete the equation.

Then, from the Raman spectra, check the frequency (in wavenumbers cm-1) for the Raman peak that corresponds to the vibration in hydroxyapatite of interest. You can then use the Badger's rule equation you created above and extrapolate what bond length your sample's vibration frequency corresponds to.

For reference, see the following articles:
https://pubs.acs.org/doi/abs/10.1021/jacs.7b00210
https://pubs.acs.org/doi/abs/10.1021/acs.jpclett.8b03790
 
  • #3
Thank you so much! I really appreciate this. 😊 Gave me the idea that I needed.
 

1. How is bond length calculated using Raman spectra?

Bond length can be calculated using Raman spectra by measuring the shift in the vibrational frequency of a bond. This shift is caused by the interaction between the bond and the incident light, and is related to the bond length through a mathematical equation known as the Raman equation.

2. What is the Raman equation?

The Raman equation is a mathematical equation that relates the vibrational frequency shift of a bond to its bond length. It takes into account factors such as the incident light frequency, the scattering angle, and the polarizability of the bond.

3. What is the significance of bond length in Raman spectroscopy?

Bond length is an important parameter in Raman spectroscopy because it can provide information about the molecular structure and bonding within a molecule. By measuring the bond length using Raman spectra, scientists can gain insight into the strength and nature of the bonds present in a molecule.

4. Can bond length be accurately calculated using Raman spectra?

Yes, bond length can be accurately calculated using Raman spectra. However, it is important to note that there are limitations to this method, such as the need for calibration standards and potential interference from other factors. It is always recommended to use multiple methods for determining bond length for more accurate results.

5. Are there any practical applications for calculating bond length using Raman spectra?

Yes, there are many practical applications for calculating bond length using Raman spectra. This technique is commonly used in fields such as chemistry, materials science, and pharmaceuticals, where understanding the molecular structure and bonding is crucial for developing new products and materials.

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