Statistical Thermodynamics and Rate Theories/Data

Molecule (K) (K)
H2[1] 87.547 6332.52
N2Invalid <ref> tag; invalid names, e.g. too many 2.0518 3393.54
O2Invalid <ref> tag; invalid names, e.g. too many 2.0793 2273.60
F2Invalid <ref> tag; invalid names, e.g. too many 1.2808 1318.87
HFInvalid <ref> tag; invalid names, e.g. too many 41.345 5954.27
HClInvalid <ref> tag; invalid names, e.g. too many 15.240 4303.41
NOInvalid <ref> tag; invalid names, e.g. too many 2.4524 2739.79
C2H2[2] 1.7012

ExampleEdit

Calculate the ground state characteristic rotational ( ) and characteristic vibrational ( ) temperatures for molecular hydrogen, H2.

 

Where   is the reduced Planck constant,   is the internuclear distance for ground state hydrogen[1],   is the Boltzmann constant, and   is the reduced mass.

 

 

 

The characteristic vibrational temperature ( ) is calculated using the following equation

 

Where   is Planck's constant,   is the Boltzmann constant, and   is the vibrational frequency of the molecule. To retain units of K the vibrational frequency must be changed to units of s-1.

 

 

ReferencesEdit

  1. a b http://webbook.nist.gov/cgi/cbook.cgi?ID=1333-74-0
  2. E. Plyler, E. Tidwell, and T. Wiggins, (1963). Rotation-Vibration Constants of Acetylene. Journal of Optical Society America. Table 4, Data section in appendix