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

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Discussion Overview

The discussion revolves around calculating the rotational constant for CO2, specifically focusing on the values for different rotational quantum numbers (J) in both ground and excited states. Participants explore the relationship between these values and the necessary data for plotting to derive the constants.

Discussion Character

  • Homework-related
  • Technical explanation
  • Conceptual clarification

Main Points Raised

  • One participant seeks to calculate the rotational constant B(0) and B(1) using given values for J, noting that J=0,2,4 corresponds to the ground state and J=1,3,5 to the excited state.
  • Another participant explains that for a rigid rotor, the energy levels are defined by the equation E_rot = B * J * (J + 1), and mentions the potential need for additional terms in a non-rigid rotor scenario.
  • There is a request for clarification on the specific data available, as one participant mentions having only wavenumbers for different J grades in the P and R branches.
  • One participant emphasizes the need to determine which J grades are valuable for the calculations and mentions the intention to plot graphs to derive B(0) and B(1).
  • Another participant suggests that the mention of "P and R branch" indicates a focus on ro-vibrational spectra, but expresses concern that insufficient information has been provided to assist effectively.

Areas of Agreement / Disagreement

Participants express varying levels of understanding and clarity regarding the data needed for calculations. There is no consensus on the specific approach to take or the completeness of the information provided.

Contextual Notes

Participants note the importance of statistical weight and the distinction between odd and even J grades, but the discussion does not resolve how these factors influence the calculations of the rotational constants.

Nanosciencee
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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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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?
 
Just wavenumbers for different J grades in P and R branch, nothing else.
 
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).
 
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.
 

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