Looking for particular Diatomic Molecular Constants

In summary, the conversation discusses the search for rotational and vibrational constants for diatomic molecules N2 and O2. The centrifugal distortion constants, Dv, are needed for calculation of vibrational and rotational energy states. The book "Constants of diatomic molecules" by Huber and Herzberg is suggested as a good source for these values.
  • #1
Jimbone
34
0
Hello,

I've been looking for a few rotational/vibrational diatomic molecular constants for N2 and O2. I've got a some good literature values for most constants I need involving the calculation in possible vibrational and rotational energy states. I'm looking for the centrifugal distortion constants Dv which includes a beta and a De.

Dv = Dv=De+Beta*(v+.5)

and

F=Bv*j*(j+1)-Dv*j^2*(j+1)^2

Generally the Bv term dominates, Dv is just the correction for centrifugal distortion hence the negative sign. But at higher temperatures, which is what I need to look at the Dv term will effect population distribution. If anyone knows a good literature source for these values please let me know.

Thanks !
 
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  • #3
There is a book called "Constants of diatomic molecules" by Huber and Herzberg. It contains nothing but such constants of all kinds of diatomics. Unfortunately it has not been updated for a long time, but for such very common molecules you'll find everything you need in there.
 

FAQ: Looking for particular Diatomic Molecular Constants

What are diatomic molecules?

Diatomic molecules are molecules that consist of two atoms bonded together. Examples include oxygen (O2), nitrogen (N2), and hydrogen (H2).

What are molecular constants?

Molecular constants are values that describe the physical and chemical properties of a molecule, such as its bond length, bond angle, and vibrational frequencies. These values are important for understanding the behavior and interactions of molecules.

Why is it important to study diatomic molecular constants?

Studying diatomic molecular constants can provide important insights into the fundamental properties of molecules and their interactions. This information can be used in various fields, such as chemistry, physics, and materials science, to better understand and predict the behavior of molecules.

How are diatomic molecular constants determined?

Diatomic molecular constants are typically determined through experimental methods, such as spectroscopy, or through theoretical calculations. Spectroscopic techniques involve measuring the absorption or emission of light by a molecule to determine its properties. Theoretical calculations use mathematical models to predict molecular properties based on known principles and experimental data.

Can diatomic molecular constants vary?

Yes, diatomic molecular constants can vary depending on factors such as temperature, pressure, and the chemical environment of the molecule. These variations can be important in understanding the behavior of molecules in different conditions and environments.

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