Find Reduced Mass for Polyatomic Molecules

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SUMMARY

The discussion focuses on calculating the reduced mass for polyatomic molecules, specifically addressing the limitations of the standard formula used for diatomic molecules, M¹M²/(M¹+M²). For polyatomic molecules like Fe₂O₃, the reduced mass cannot be determined using a single formula due to the dependence on vibrational modes. The inverse reduced mass is defined as the sum of the inverse masses of the constituents, but this approach becomes complex with more than two atoms, as the reduced Hamiltonian varies based on the chosen relative coordinates.

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  • Understanding of reduced mass concepts in quantum mechanics
  • Familiarity with vibrational modes of polyatomic molecules
  • Knowledge of Hamiltonian mechanics
  • Basic principles of molecular structure and bonding
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  • Explore the concept of effective mass in multi-atom systems
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Chemists, physicists, and students studying quantum mechanics, particularly those interested in molecular vibrations and reduced mass calculations for polyatomic molecules.

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How could we find the reduced mass for polyatomic molecule ?
Summary: How could we find the reduced mass for polyatomic molecule ?

I have problem with reduced mass of poly atomic moleculs because for diatomic molecules you can easily find out the reduced mass by M¹M²/M¹+M²,but I don't think with this way we can find reduces mass for example for fe²o³?
 
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That will depend on the vibration mode and in general there won't be a single answer, you can't use the effective mass for everything.

I moved this thread to the quantum mechanics forum.
 
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mfb said:
That will depend on the vibration mode and in general there won't be a single answer, you can't use the effective mass for everything.

I moved this thread to the quantum mechanics forum.
Can you give an example for one of the modes because I want to have perspective about it
 
Iceking20 said:
Summary: How could we find the reduced mass for polyatomic molecule ?

Summary: How could we find the reduced mass for polyatomic molecule ?

I have problem with reduced mass of poly atomic moleculs because for diatomic molecules you can easily find out the reduced mass by M¹M²/M¹+M²,but I don't think with this way we can find reduces mass for example for fe²o³?
In general, the inverse reduced mass is the sum of the inverse masses of the constituents. For 2 constituents one gets your formula.

However, the concept of a reduced mass is indeed most useful for the case of 2 constituents only, where the center of mass frame leaves a 1-particle problem with the reduced mass.

For more than 2 constituents, no such simple recipe works, and the reduced Hamiltonian depends on the way relative coordinates are chosen.
 
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Iceking20 said:
Can you give an example for one of the modes because I want to have perspective about it
Everything. Even if we take a molecule with three atoms in a straight, symmetric line it will have vibrations along that line (contraction/extension) and vibrations orthogonal to it (making it slightly "L"-shaped). In the first case only the outer atoms move, in the second case all atoms move.
 

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