(Thermal) Vibrational degrees of freedom

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SUMMARY

The discussion centers on the vibrational degrees of freedom (DoF) of the CO2 molecule, which consists of three atoms arranged linearly. It is established that CO2 has 4 vibrational modes, leading to 4 DoF when considering kinetic and potential energy contributions. The confusion arises from the distinction between vibrational modes and degrees of freedom, with the correct formula for linear molecules being 3N-5, confirming that CO2 has 4 vibrational modes. This clarification is crucial for accurately calculating the vibrational DoF, especially in the context of molecular dynamics.

PREREQUISITES
  • Understanding of molecular structure and atomic arrangements
  • Familiarity with the concepts of translational and rotational degrees of freedom
  • Knowledge of vibrational modes in molecular physics
  • Basic principles of kinetic and potential energy in molecular systems
NEXT STEPS
  • Research the vibrational modes of other linear and non-linear molecules
  • Study the implications of the 3N-5 and 3N-6 formulas for vibrational degrees of freedom
  • Explore molecular dynamics simulations to observe vibrational behavior
  • Learn about the role of temperature in molecular vibrational states
USEFUL FOR

This discussion is beneficial for chemistry students, molecular physicists, and researchers focusing on molecular dynamics and thermodynamics, particularly those interested in the vibrational characteristics of molecules like CO2.

argon
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Let's say I have a molecule such as CO2, where there are three atoms and a linear structure. I understand that there are 3 translational degrees of freedom and 2 rotational degrees of freedom (since it's symmetric). However, the number of vibrational degrees of freedom (DoF) confuses me.

My professor says there are 4 DoF. A quick Google search has people claiming 4.

I think the answer is 8 though. There are 4 vibrational modes (if this is correct) for CO2, and each mode gets a DoF from kinetic energy and one from potential energy. This makes 8.

There are also some websites claiming that for a non-linear molecule, there are 3N-6 vibrational modes and for a linear molecule there are 3N-5 vibrational modes. Some websites call these vibrational degrees of freedom instead, but this terminology is important to distinguish since it changes my answer by a factor of 2. Which is correct?

Assume sufficiently high temperatures for this discussion such that no modes are frozen out.
 
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Look at DOF in another way... Try to find the minimum number of coordinates you need to know the exact position of CO2 molecule , there are three atoms with each having x,y coordinates. Assume that you know the distance between Carbon And oxygen atoms.
 

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