Looking for particular Diatomic Molecular Constants

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SUMMARY

This discussion focuses on the search for rotational and vibrational diatomic molecular constants for nitrogen (N2) and oxygen (O2), specifically the centrifugal distortion constants Dv, which include parameters De and beta. The equations provided, Dv = De + Beta*(v + 0.5) and F = Bv*j*(j + 1) - Dv*j^2*(j + 1)^2, highlight the significance of the Bv term and the correction factor Dv at higher temperatures affecting population distribution. A recommended literature source is "Constants of Diatomic Molecules" by Huber and Herzberg, which, despite being outdated, contains comprehensive data on these constants.

PREREQUISITES
  • Understanding of rotational and vibrational energy states in diatomic molecules
  • Familiarity with centrifugal distortion constants and their significance
  • Knowledge of the equations governing molecular constants, specifically Dv and Bv
  • Basic principles of population distribution in molecular spectroscopy
NEXT STEPS
  • Research the latest editions or updates on diatomic molecular constants
  • Explore advanced topics in molecular spectroscopy, focusing on rotational and vibrational transitions
  • Learn about the impact of temperature on molecular population distributions
  • Investigate additional literature sources for diatomic molecular constants beyond Huber and Herzberg
USEFUL FOR

Researchers in molecular physics, chemists specializing in spectroscopy, and anyone involved in the study of diatomic molecules and their constants will benefit from this discussion.

Jimbone
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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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look at Herzberg's Infrared and Raman Spectra
 
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.
 

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