# Need Help with Bond Length Calculations of Acetylene

• Chemistry
• Popz
In summary, the author is trying to determine the bond length of acetylene by analysing the vibrational spectrum of both H-Acetylene and D-Acetylene. They were able to calculate both the rotational constant and the moment of inertia but are stuck now as to how they get to the correct solution. They are following instructions given to them by a previous user, but they don't know how to solve for the two simultaneous equations. However, they are able to calculate the same result as the equation in the original post using substitutions for their calculated values.
Popz
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.

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.

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!

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.

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

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.

## 1. What is the bond length of acetylene?

The bond length of acetylene (C2H2) is approximately 1.20 angstroms. This value may vary slightly depending on the method used for calculation.

## 2. How is the bond length of acetylene calculated?

The bond length of a molecule can be calculated using various methods, such as quantum mechanical calculations or experimental techniques like X-ray crystallography. In the case of acetylene, the bond length is typically calculated using quantum mechanical methods, which involve solving the Schrödinger equation to determine the electronic structure and bond lengths of the molecule.

## 3. What factors affect the bond length of acetylene?

The bond length of acetylene is primarily affected by the strength of the bond between the two carbon atoms. This bond strength is influenced by factors such as the electronegativity of the atoms, the number of bonds between them, and the presence of any nearby atoms or functional groups that may interact with the molecule.

## 4. How accurate are bond length calculations of acetylene?

The accuracy of bond length calculations for acetylene can vary depending on the method used and the level of theory employed. Generally, calculations using more sophisticated methods and larger basis sets will yield more accurate results. However, it is important to note that all calculations are based on theoretical models and may not perfectly match experimental measurements.

## 5. Can bond length calculations be used to predict the properties of acetylene?

Bond length calculations can provide valuable insights into the properties of acetylene, such as its stability, reactivity, and spectroscopic characteristics. However, it is important to remember that these calculations are based on theoretical models and may not always accurately predict the behavior of the molecule in real-world situations.

• Biology and Chemistry Homework Help
Replies
6
Views
2K
• Biology and Chemistry Homework Help
Replies
4
Views
1K
• Biology and Chemistry Homework Help
Replies
4
Views
1K
• Biology and Chemistry Homework Help
Replies
4
Views
2K
• Biology and Chemistry Homework Help
Replies
19
Views
3K
• Biology and Chemistry Homework Help
Replies
4
Views
1K
• Biology and Chemistry Homework Help
Replies
6
Views
2K
• Biology and Chemistry Homework Help
Replies
5
Views
1K
• Biology and Chemistry Homework Help
Replies
26
Views
5K
• Biology and Chemistry Homework Help
Replies
7
Views
2K