Rotational partition function for CO2 molecule

Click For Summary
The discussion centers on calculating the rotational partition function for the CO2 molecule, highlighting confusion over the appropriate formulas to use. The first formula presented is said to apply to diatomic molecules, while a second, more complex formula is intended for asymmetric polyatomic molecules. However, CO2, being a linear polyatomic molecule, raises questions about which formula is valid. Clarification is provided that the rotational partition function for linear polyatomic molecules like CO2 aligns with the first formula, despite some sources suggesting it is only for diatomic molecules. Ultimately, the rotational partition function for CO2 should be calculated using the first formula, as the distinction lies in the vibrational component rather than the rotational aspect.
DannyJ108
Messages
23
Reaction score
2
Homework Statement
Find the rotational partition function for a CO2 molecule. Assume ideal gas and classical approximation
Relevant Equations
##\zeta^r= \frac T {\sigma \theta_r}##
Hello fellow physicists,

I need to calculate the rotational partition function for a CO2 molecule. I'm running into problems because I've found examples were they say this rotational partition function is:

##\zeta^r= \frac T {\sigma \theta_r} = \frac {2IkT} {\sigma \hbar^3}##

Where ##\zeta^r## : rotational partition function for the molecule
##T## : temperature
##\sigma## : symmetry number
##\theta_r## : characteristic rotational temperature
##I## : moment of inertia
##K## :Boltzmann factor

The problem is that I've read that ##\zeta^r## mentioned before is ONLY valid for DIATOMIC molecules. There's another more complicated formula used for polyatomic molecules:

##\zeta^r= \frac {\left( \pi I_1 I_2 I_3 \right)^{1/2}} {\sigma \hbar^3} \left( 2kT \right)^{3/2}##

But I've read this formula is for asymmetric polyatomic molecules with different inertia moments, whereas CO2 only has one moment of inertia.

Now I don't know what formula to use. Can you guys help me out?

This is a link (http://myweb.liu.edu/~nmatsuna/PHS702/statmech/lect7/stat.mech.8.html) for polyatomic molecules and it says that the ##\zeta^r## for a linear polyatomic molecule (which is the case of CO2) is the first formula I wrote out.

This other one (http://faculty.washington.edu/gdrobny/Lecture453_17_2013.pdf) says that ##\zeta^r## is only valid for diatomic molecules, but then proceeds to write the partition function with that formula.

I'm so confused. Thanks in advance for your kind help.

Regards.
 
Physics news on Phys.org
DannyJ108 said:
This other one (http://faculty.washington.edu/gdrobny/Lecture453_17_2013.pdf) says that ζr is only valid for diatomic molecules, but then proceeds to write the partition function with that formula.
It says that the formula it gives for the total partition function is only valid for diatomics; the difference for linear polyatomics is in the vibrational component, not the rotational.
 

Similar threads

Replies
8
Views
14K
Replies
5
Views
3K
  • · Replies 7 ·
Replies
7
Views
7K