Calculating CO2 Rotational Constant | J=0,1,2,3,4,5 Excited State Analysis

In summary, you are trying to calculate the rotational constants for specific vibrational levels in a molecule. You are not sure what data you have, and you are looking for help to plot it in a useful way.
  • #1
Nanosciencee
3
0
Hey!

I have a problem. The problem is simple: calculate CO2 rotational constant. I have values for J (ground state and excited state), with those grades I have to calculate rotational constant. I know that for J=0,2,4.. it is just in ground state and for J=1,3,5..it is excited state. But how do I can calculate B(0) and B(1), because with those I can calculate B(e). I also know that I have to plot and from slope I get those B grades, but what are in x/y-axis?
 
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  • #2
Nanosciencee said:
Hey!

I have a problem. The problem is simple: calculate CO2 rotational constant. I have values for J (ground state and excited state), with those grades I have to calculate rotational constant. I know that for J=0,2,4.. it is just in ground state and for J=1,3,5..it is excited state. But how do I can calculate B(0) and B(1), because with those I can calculate B(e). I also know that I have to plot and from slope I get those B grades, but what are in x/y-axis?

You are confused, a bit.

For a rigid rotor, the energy levels are given by: E_rot = B* J*(J+1), J = 0, 1, 2, ...
For a non-rigid rotor, there are additional terms (centrifugal distortion constant, etc.)

Usually, you are given the energy levels or the transition energies between levels, and you use this information to find the rotational constant.

What data do you actually have?
 
  • #3
Just wavenumbers for different J grades in P and R branch, nothing else.
 
  • #4
Quantum Defect said:
You are confused, a bit.

For a rigid rotor, the energy levels are given by: E_rot = B* J*(J+1), J = 0, 1, 2, ...
For a non-rigid rotor, there are additional terms (centrifugal distortion constant, etc.)

Usually, you are given the energy levels or the transition energies between levels, and you use this information to find the rotational constant.

What data do you actually have?

I don't need to calculate energy levels, just rotational constant B(e). I have to check statistical weight and be sure which J grades are valuable (odd or even). And from that information I have to plot two graph to get B(0) and B(1).
 
  • #5
Nanosciencee said:
Just wavenumbers for different J grades in P and R branch, nothing else.

"P and R branch" suggests that you are calculating a ro-vibrational (Infrared or Raman) spectrum. You really have not provided enough information to allow me to give any help with what you are trying to do. Look at other posts in the "Homework" section of "Physics Forums" to see how people present these problems.
 

Related to Calculating CO2 Rotational Constant | J=0,1,2,3,4,5 Excited State Analysis

1. What is the CO2 rotational constant?

The CO2 rotational constant, denoted as B, is a physical constant that represents the energy difference between two adjacent rotational states of a carbon dioxide molecule. It is typically measured in units of reciprocal centimeters (cm^-1).

2. How is the CO2 rotational constant related to the structure of the molecule?

The CO2 rotational constant is determined by the moment of inertia of the molecule, which is influenced by the positions and masses of its atoms. In the case of CO2, the linear structure of the molecule results in a higher rotational constant compared to a non-linear molecule with the same number of atoms.

3. How is the CO2 rotational constant calculated?

The CO2 rotational constant can be calculated using the formula B = h/(8π^2cI), where h is the Planck's constant, c is the speed of light, and I is the moment of inertia of the molecule. Alternatively, it can be obtained experimentally through spectroscopic techniques.

4. Why is the CO2 rotational constant important?

The CO2 rotational constant is important in understanding the behavior of CO2 molecules and their interactions with other molecules and substances. It is also a key parameter in spectroscopic studies, which can provide valuable information about the structure and properties of CO2.

5. How does the CO2 rotational constant change with temperature?

The CO2 rotational constant remains constant with temperature, as long as there is no change in the structure or energy levels of the molecule. However, at higher temperatures, the rotational levels become more populated, resulting in broader spectral lines and a decrease in the precision of the rotational constant measurement.

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