Statistical Thermodynamics and Rate Theories/Data

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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

Example[edit]

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.

References[edit]

  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