Infrared emission spectrum and potential constants of HCl

C. M. Clayton, Daniel Ward Merdes, J. Plíva, T. K. McCubbin, R. H. Tipping

Research output: Contribution to journalArticle

26 Scopus citations

Abstract

The emission spectrum from a low-pressure hydrogen chloride flame has been recorded in the 3.1-5.3 μm region at high resolution using a 4.5-m grating spectrometer coupled to a PDP-15 computer. The data obtained for the v → v - 1 band sequence, with v = 1 to 6 for H35Cl and v = 1 to 5 for H37Cl, were combined with other accurate data and analyzed to obtain the vibrational and rotational constants and Dunham coefficients for the H35Cl and H37Cl molecules. Using this information, eighth-order nonlinear least-squares estimates of the Dunham, Simons-Parr-Finlan, Ogilvie, and Sandeman potential constants were computed. While the values of all four sets of constants display a lack of convergence, the constants of Sandeman's expansion exhibit better statistical behavior than the other three. This suggests that a Sandeman-like inversion of the Simons-Parr-Finlan and Ogilvie potential constants would be worthwhile.

Original languageEnglish (US)
Pages (from-to)168-184
Number of pages17
JournalJournal of molecular spectroscopy
Volume98
Issue number1
DOIs
StatePublished - Jan 1 1983

All Science Journal Classification (ASJC) codes

  • Atomic and Molecular Physics, and Optics
  • Spectroscopy
  • Physical and Theoretical Chemistry

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