Need Help with Bond Length Calculations of Acetylene

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Discussion Overview

The discussion revolves around calculating the bond lengths of acetylene by analyzing the vibrational spectrum of H-Acetylene and D-Acetylene. Participants explore the application of moment of inertia equations and the relationships between bond lengths and isotopes, focusing on the mathematical approach to solving simultaneous equations.

Discussion Character

  • Technical explanation
  • Mathematical reasoning
  • Homework-related

Main Points Raised

  • One participant expresses confusion about how to derive the bond lengths from the moment of inertia equations and the implications of the rearranged equations.
  • Another participant suggests simplifying the approach by labeling the moments of inertia for H and D and solving the simultaneous equations, noting a missing factor of 2 in the equations.
  • A later reply discusses substituting variables to simplify the equations further and questions whether isotopes affect bond length.
  • Another participant challenges the correctness of the equations presented and provides a method for subtraction to isolate variables.
  • Subsequent posts indicate attempts to verify calculations and clarify the relationship between the derived equations and the original post's equations.
  • One participant acknowledges the algebraic process but notes that actual calculations have not been performed yet.
  • Finally, a participant emphasizes the importance of providing final bond length values in response to exam questions, indicating a focus on completeness in the solution process.

Areas of Agreement / Disagreement

Participants generally engage in a collaborative effort to refine calculations and clarify methods, but there is no consensus on the specific equations or the implications of isotope effects on bond lengths. Disagreements about the correctness of certain equations and approaches are evident.

Contextual Notes

Some participants mention missing factors in equations and potential errors in labeling, indicating that the discussion may be limited by assumptions about the equations' correctness and the definitions used for variables.

Who May Find This Useful

Students or individuals interested in molecular physics, vibrational spectroscopy, or those needing assistance with bond length calculations and related mathematical reasoning.

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Homework Statement
I have done most part of the data analysis. I am stuck with rearranging the equation in the correct way.
Relevant Equations
see below
Hey!

I am trying to determine the bond length of acetylene by analysing the vibrational spectrum of both H-Acetylene and D-Acetylene. I was able to calculate both the rotational constant and the moment of inertia but am stuck now as to how I get to the correct solution.
1614634178973.png

On the left is the original moment of inertia equation for polyatomic molecules which I have expanded to be specific for acetylene.
Then, on the right side are my rearrangements for the bond length of the respective molecules. I have been told that this is solvable by using two simultaneous equations - the moment of inertia for H and D. But I don't know how to solve this in practice.

1614634473077.png

However, I have been told that this is (probably) the correct equation. But I don't know how I get to this point.
I understand that the basic rearrangement equals r = √(I/2m) but, for example, I don't know why r(D) - r(H) would equal r(H) if that's what the first equation implies?​

Hope that's not too confusing.
Thanks!
 
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You are over-complicating things with your square-root equations. In the equations for the moments of inertia (label them IH and ID so you don't start thinking they're the same) you have two simultaneous linear equations in the unknowns rC2 and rH2 (assuming rD = rH). Solve for these and then root them. Oh, and the equations are missing a factor of 2.
 
Thank you! I had an attempt following what you said. It would be great if you could double-check if I'm on the right track as it has truly been a while since I last have done this kind of maths.

1614639880857.png
So I labeled the equations accordingly and then subsituted rc in the H-Inertia equation which gave me a simpler equation for rh. If this is correct, how do I move forward? Do I substitute (I/m) for rh in the rc equation on the top right?

Also out of curiosity, is it always the case that the isotope of a molecule doesn't affect bond length?
 
I have no idea what rubbish you're doing in the right hand column.

You have two equations (which you are still writing wrongly):
IH = 2mCrC2 + 2mHrH2
ID = 2mCrC2 + 2mDrH2
You can do a simple subtraction to get
ID - IH = 2(mD - mH)rH2
and solve for rH, and substitute back in the equation for rC.
Note that the question asks for the bond lengths, not rH and rC.
 
Thanks!
From that on I calculated then
1614696329568.png

Which is the same as the equation I posted in the original post except that the values for D and H are swapped. Is this correct or have I overlooked something?

For rc I then come to the same conclusion as the equation in the original post too.
 
The algebra is correct, but you still haven't calculated anything!
 
Thank you again! The algebra was the main thing I struggled with. I think I know how to continue from then on. I subbed the variables for my calculated values and accounted for the relative positions of the atoms to the centre and got values for my bond length that resemble the literature value. :)
 
Well done. But I thought it was worth emphasising, for you or anyone else out there, that if an exam question asks for bond lengths, that's what it wants. You would lose marks if you got the algebra right but stopped there, or stopped at calculating the r values.
 

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