Where can I find rotational/vibrational temperature data for ethane?

In summary, a partition function is a mathematical concept used in statistical mechanics to describe the distribution of energy among the different states of a system. This data is crucial in understanding the behavior of physical and chemical systems and can be experimentally measured using techniques such as spectroscopy, calorimetry, and molecular dynamics simulations. The value of a partition function is influenced by factors such as energy levels, temperature, number of particles, and particle interactions. It is also directly related to the free energy of a system through a mathematical equation.
  • #1
jbowers9
89
1
Hi,
Where would I find data for rotational/vibrational temperatures for a particular molecule (ethane)? I tried googling but had no luck. Also can you compute the moments of inerta for a particular (simple) molecule?
 
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  • #2
Statistical Mechanics by McQuarrie p.132 table 8-1 has the values for ## CH_4 ## and several other molecules. (Looking at it more closely=## CH_4##=methane. No, ethane ## C_2H_6 ## is not in that table). ## \\ ## Edit: I did find this in a google: https://cccbdb.nist.gov/exp2x.asp?casno=74840&charge=0 Perhaps it will be helpful.
 
Last edited:

What is a partition function?

A partition function is a mathematical concept used in statistical mechanics to describe the distribution of energy among the different states of a system.

How is partition function data used in scientific research?

Partition function data is used to calculate thermodynamic properties of a system, such as energy, heat capacity, and entropy. This data is crucial in understanding the behavior of physical and chemical systems.

What factors influence the value of a partition function?

The value of a partition function is influenced by the energy levels of the system, the temperature, and the number of particles in the system. It also depends on the type of particles and their interactions.

Can partition function data be experimentally measured?

Yes, partition function data can be experimentally measured using techniques such as spectroscopy, calorimetry, and molecular dynamics simulations.

What is the relationship between partition function and free energy?

The partition function is directly related to the free energy of a system through the equation F=-kTln(Z), where F is the free energy, k is the Boltzmann constant, T is the temperature, and Z is the partition function.

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