The WCCRMT dataset for 14N2: partition functions

Metadata

Spectroscopic Model

14N2__WCCRMT.model

WCCRMT: line list

A line list for the triplet system of N2 constructed by Western et al. (2018) and extended by Jans (2024) to include the C-B system. Generated using PGOPHER.

  • 14N2__WCCRMT.states.bz2
    The original States of N2 from WCCRMT dataset, triplet system, are by Western (2018), (J0...76). In 2024 the States file was extended to include the C3Pig (J=0..150) states and high Js of B3Pig (J=76...150) by Jans (2024)
  • 14N2__WCCRMT.trans.bz2 [81.4 MB]
    Transitions of N2 from WCCRMT dataset
  • 14N2__WCCRMT__ERJ.trans.bz2
    Transition file: C-B system of N2 added by E.R. Jans (2024) to the WCCRMT dataset

References

  1. Western, C. M., Carter-Blatchford, L., Crozet, P., Ross, A. J., Morville, J., Tokaryk, D. W., "The spectrum of N2 from 4,500 to 15,700 cm−1 revisited with PGOPHER", Journal of Quantitative Spectroscopy and Radiative Transfer 219, 127-141 (2018). [link to article][18WeCaCr]
  2. Western, C. M., "PGOPHER, A Program for Simulating Rotational, Vibrational and Electronic Spectra", Journal of Quantitative Spectroscopy and Radiative Transfer 186, 221-242 (2016). [link to article]
  3. Shemansky D. E. Shemansky, "N2 Vegard–Kaplan System in Absorption", The Journal of Chemical Physics 51, 689-700 (1969). [link to article]
  4. Jans, E.R., "Rovibronic molecular line list for the N2(C3Πu−B3Πg second positive system", Journal of Quantitative Spectroscopy and Radiative Transfer 312, 108809 (2024). [link to article]

WCCRMT: partition function

A line list for the triplet system of N2 constructed by Western et al. (2018) and extended by Jans (2024) to include the C-B system. Generated using PGOPHER.

  • 14N2__WCCRMT.pf
    Partition function of N2 from Robert R. Gamache and Nicholas G. Orphanos.

References

  1. Gamache, R.R., Orphanos, N.G., "Thermodynamic Functions for N2 from the Total Partition Sum and its Moments", Journal of Physical and Chemical Reference Data 52, 023101-1-023101-10 (2023). [link to article]

WCCRMT: cooling function

A line list for the triplet system of N2 constructed by Western et al. (2018) and extended by Jans (2024) to include the C-B system. Generated using PGOPHER.

  • 14N2__WCCRMT.cp
    Specific heat function of N2 from Robert R. Gamache and Nicholas G. Orphanos.

References

  1. Gamache, R.R., Orphanos, N.G., "Thermodynamic Functions for N2 from the Total Partition Sum and its Moments", Journal of Physical and Chemical Reference Data 52, 023101-1-023101-10 (2023). [link to article]

WCCRMT: other States files

A line list for the triplet system of N2 constructed by Western et al. (2018) and extended by Jans (2024) to include the C-B system. Generated using PGOPHER.

References

  1. Western, C. M., Carter-Blatchford, L., Crozet, P., Ross, A. J., Morville, J., Tokaryk, D. W., "The spectrum of N2 from 4,500 to 15,700 cm−1 revisited with PGOPHER", Journal of Quantitative Spectroscopy and Radiative Transfer 219, 127-141 (2018). [link to article][18WeCaCr]
  2. Western, C. M., "PGOPHER, A Program for Simulating Rotational, Vibrational and Electronic Spectra", Journal of Quantitative Spectroscopy and Radiative Transfer 186, 221-242 (2016). [link to article]
  3. Shemansky D. E. Shemansky, "N2 Vegard–Kaplan System in Absorption", The Journal of Chemical Physics 51, 689-700 (1969). [link to article]

WCCRMT: broadening coefficients

A line list for the triplet system of N2 constructed by Western et al. (2018) and extended by Jans (2024) to include the C-B system. Generated using PGOPHER.

References