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 Citations (Scopus)

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

Fingerprint

Hydrochloric Acid
Diffraction gratings
Spectrometers
emission spectra
infrared spectra
Infrared radiation
Molecules
PDP 15 computer
hydrogen chlorides
flames
low pressure
gratings
spectrometers
inversions
expansion
high resolution
coefficients
estimates
molecules

All Science Journal Classification (ASJC) codes

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

Cite this

Clayton, C. M. ; Merdes, Daniel Ward ; Plíva, J. ; McCubbin, T. K. ; Tipping, R. H. / Infrared emission spectrum and potential constants of HCl. In: Journal of molecular spectroscopy. 1983 ; Vol. 98, No. 1. pp. 168-184.
@article{273020887d3e46e9b93c77f2510643d2,
title = "Infrared emission spectrum and potential constants of HCl",
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.",
author = "Clayton, {C. M.} and Merdes, {Daniel Ward} and J. Pl{\'i}va and McCubbin, {T. K.} and Tipping, {R. H.}",
year = "1983",
month = "1",
day = "1",
doi = "10.1016/0022-2852(83)90212-6",
language = "English (US)",
volume = "98",
pages = "168--184",
journal = "Journal of Molecular Spectroscopy",
issn = "0022-2852",
publisher = "Academic Press Inc.",
number = "1",

}

Infrared emission spectrum and potential constants of HCl. / Clayton, C. M.; Merdes, Daniel Ward; Plíva, J.; McCubbin, T. K.; Tipping, R. H.

In: Journal of molecular spectroscopy, Vol. 98, No. 1, 01.01.1983, p. 168-184.

Research output: Contribution to journalArticle

TY - JOUR

T1 - Infrared emission spectrum and potential constants of HCl

AU - Clayton, C. M.

AU - Merdes, Daniel Ward

AU - Plíva, J.

AU - McCubbin, T. K.

AU - Tipping, R. H.

PY - 1983/1/1

Y1 - 1983/1/1

N2 - 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.

AB - 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.

UR - http://www.scopus.com/inward/record.url?scp=0000968306&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0000968306&partnerID=8YFLogxK

U2 - 10.1016/0022-2852(83)90212-6

DO - 10.1016/0022-2852(83)90212-6

M3 - Article

AN - SCOPUS:0000968306

VL - 98

SP - 168

EP - 184

JO - Journal of Molecular Spectroscopy

JF - Journal of Molecular Spectroscopy

SN - 0022-2852

IS - 1

ER -