chan_1993_o2#

W. F. Chan, G. Cooper and C. E. Brion, “Absolute optical oscillator strengths for the photoabsorption of molecular oxygen (5-30 eV) at high resolution”, Chem. Phys. 170, 99 (1993)

Source record · Catalogue · Review register

DOI: 10.1016/0301-0104(93)80096-r

Source kind: measurement

Recorded technique: High-resolution dipole (e,e) spectroscopy: electron energy-loss spectra at 3 keV impact energy and zero mean scattering angle, 0.048 eV FWHM, 6-30 eV energy loss (the title says 5-30 eV), multiplied by the spectrometer’s Bethe-Born factor and normalised at 26 eV (smooth continuum) to the TRK-sum-rule-normalised low-resolution (1 eV FWHM) dipole (e,e) df/dE of Brion, Tan, Van der Wiel and Van der Leeuw (1979): independent of optical measurements, photon flux and density, and free of line saturation (pp. 2-3). Integrated oscillator strengths over energy ranges by integrating the high-resolution df/dE. Background gases and non-spectral electrons removed by quartering the sample pressure; energy scale from helium’s 21.218 eV line admitted with the sample. Medigas O2, 99 % (p. 3).

Materials in structured entries: O2

Dataset quantities: interval_oscillator_strength, oscillator_strength

Contents: 21 datasets; 0 formulas.

Curation notes#

Values per molecule; no density or state involved (room-temperature O2, not stated). Uncertainty: ‘The uncertainties in the presently reported absolute oscillator strengths are estimated to be +-5%’ (p. 3). The paper tabulates no df/dE: the 5-30 eV spectrum is in Figs. 1-3 only (with Brion et al.’s 1979 low-resolution points and Samson and Haddad’s double-ion-chamber data above 18 eV). The Schumann-Runge bands below 7 eV were too weak to be observed (p. 3).

Table 1 (p. 7, ‘Absolute optical oscillator strengths ... 9.75-11.89 eV’; its last row reaches 12.07 eV): the diffuse bands between the Schumann-Runge continuum and the first ionisation potential (12.071 eV), integrated over the printed ranges: present work, Huebner et al. (electron impact, 100 eV, 0.02 rad) and Ogawa and Ogawa (their Beer-Lambert data integrated over the same ranges), as interval datasets; Lewis et al.’s two values (isotopic O2) and three theories’ band strengths (Buenker et al., Yoshimine et al., Li et al.) as band datasets with rows E0-E2 (E 3Sigma_u-, v’ = 0-2) and Pi0-Pi2 (2 3Pi_u, v’ = 0-2; Buenker et al.’s assignments, note a, peaks at 9.96, 10.28, 10.57 eV and 10.90, 11.24, 11.55 eV). Table 2 (p. 9): intervals 12.070-18.287 eV (present work, 39; Huebner et al. 12.070-14.056, 16).

Text values (inline datasets, pp. 5-9): the Schumann-Runge continuum, 6.56-9.46 eV: present 0.169, Lassettre and Skerbele (corrected GOS extrapolation) 0.179; 9.46-10.7 eV: present 0.0185, Lassettre and Skerbele 0.020; the total up to the first ionisation potential (12.07 eV): present 0.198; 12.10-14.04 eV: present 0.151, Huebner et al. 0.181; 12.07-16.53 eV: present 0.578, Berkowitz’s 0.724 from Matsunaga and Watanabe’s tabulated data, Chan et al.’s re-integrations of Matsunaga and Watanabe (0.587 from their digitised Figs. 1-2, 0.685 from their Table 1, which holds only a third of their data) and of Huffman et al.’s figures (0.685); below 18 eV: 1.13 (present, high resolution) and 1.12 (Brion et al. 1979, low resolution). Huebner et al.’s Schumann-Runge continuum value, 0.161 (p. 5), and their total to the IP, 0.198 (p. 8), are not extracted: the ranges they integrate are not given.

Checks (2026-09-27): the Table 2 present intervals from 12.070 to 14.056 eV sum to 0.1511 (text: 0.151 for 12.10-14.04 eV) and Huebner et al.’s to 0.1804 (text: 0.181); from 12.070 to 16.481 and 16.581 eV to 0.569 and 0.586 (text: 0.578 for 12.07-16.53 eV); the Table 1 present column sums to 0.0281, and 0.169 (6.56-9.46 eV) + 0.0281 = 0.197 (text: 0.198 to the IP, the remainder 9.46-9.75 eV); the Table 1 intervals 9.75-10.71 eV sum to 0.0175 (text: 0.0185 for 9.46-10.7 eV). Table 2 continues to 18.287 eV (sum 12.070-18.287: 0.985).

Relations: Brion et al. (1979), the absolute scale here, is reprinted in brion_1984 (O2 table). kumar_2011_supplement’s O2 DOSD takes its intervals j = 4, 7-11 and 15-17 from this paper (integrated by Kumar and Thakkar, not reprinted). Olney et al. (olney_1997) refined this spectrum with Brion et al.’s (1979) for their O2 dipole sums.

Recorded bibliographic identity status: VALIDATED_WITH_WARNINGS. This concerns identification of the source; it does not establish the scientific correctness of its contents.

Datasets#

chan_1993_o2/intervals_present#

{
  "id": "intervals_present",
  "material": "O2",
  "file": "O2/chan_1993_o2__intervals_present.csv",
  "table": "tbl_64a7a5d7efc8, tbl_41c9c9856c23",
  "quantity": "interval_oscillator_strength",
  "abscissa_unit": "eV",
  "columns": {
    "x_upper": "eV"
  },
  "use": "primary",
  "uncertainty": {
    "relative": 0.05,
    "level": "not stated"
  }
}

Tables 1 and 2 ‘present work’: the high-resolution (0.048 eV) oscillator strength integrated over each printed energy range, 9.75-12.07 eV (13 ranges, Table 1, the diffuse E 3Sigma_u- and 2 3Pi_u bands and the unassigned ranges between them) and 12.070-18.287 eV (39 ranges, Table 2); row = the range as printed, x and x_upper its edges. Uncertainty +-5 % (p. 3).

chan_1993_o2/intervals_huebner_1975#

{
  "id": "intervals_huebner_1975",
  "material": "O2",
  "file": "O2/chan_1993_o2__intervals_huebner_1975.csv",
  "table": "tbl_64a7a5d7efc8, tbl_41c9c9856c23",
  "quantity": "interval_oscillator_strength",
  "abscissa_unit": "eV",
  "columns": {
    "x_upper": "eV"
  },
  "use": "reproduced",
  "reproduced_from": [
    "R. H. Huebner, R. J. Celotta, S. R. Mielczarek and C. E. Kuyatt, J. Chem. Phys. 63, 241 (1975)"
  ]
}

Tables 1 and 2: Huebner et al.’s integrated oscillator strengths over the same ranges, 9.75-12.07 eV (13) and 12.070-14.056 eV (16); electron energy loss at 100 eV impact energy and 0.02 rad (K^2 = 0.01-0.04 au, too large for a dipole-only spectrum), normalised to an average optical value at the Schumann-Runge continuum maximum (8.61 eV). Generally higher than the present values, possibly from dipole-forbidden transitions (pp. 2, 8).

chan_1993_o2/intervals_ogawa_1975#

{
  "id": "intervals_ogawa_1975",
  "material": "O2",
  "file": "O2/chan_1993_o2__intervals_ogawa_1975.csv",
  "table": "tbl_64a7a5d7efc8",
  "quantity": "interval_oscillator_strength",
  "abscissa_unit": "eV",
  "columns": {
    "x_upper": "eV"
  },
  "use": "reproduced",
  "reproduced_from": [
    "S. Ogawa and M. Ogawa, Can. J. Phys. 53, 1854 (1975)"
  ]
}

Table 1: Ogawa and Ogawa’s Beer-Lambert photoabsorption integrated over the same energy ranges, 9.75-11.33 eV (8 ranges); ‘consistent with’ the present results (p. 7).

chan_1993_o2/bands_lewis_1988#

{
  "id": "bands_lewis_1988",
  "material": "O2",
  "file": "O2/chan_1993_o2__bands_lewis_1988.csv",
  "table": "tbl_64a7a5d7efc8",
  "quantity": "oscillator_strength",
  "abscissa": "label",
  "use": "reproduced",
  "reproduced_from": [
    "B. R. Lewis, S. T. Gibson, M. Emami and J. H. Carver, J. Quant. Spectrosc. Radiat. Transfer 40, 469 (1988)"
  ]
}

Table 1: band oscillator strengths of the assigned diffuse bands, rows E0-E2 (E 3Sigma_u-, v’ = 0-2) and Pi0-Pi2 (2 3Pi_u, v’ = 0-2); Beer-Lambert photoabsorption of isotopic oxygen (the page-7 footnote: 16O18O and 18O2), analysed with Beutler-Fano profiles; E1 is the average of the 16O18O and 18O2 strengths integrated over 10.19-10.35 eV (note b). Not 16O2: a comparison only.

chan_1993_o2/bands_buenker_1976#

{
  "id": "bands_buenker_1976",
  "material": "O2",
  "file": "O2/chan_1993_o2__bands_buenker_1976.csv",
  "table": "tbl_64a7a5d7efc8",
  "quantity": "oscillator_strength",
  "abscissa": "label",
  "use": "reproduced",
  "reproduced_from": [
    "R. J. Buenker, S. D. Peyerimhoff and M. Peric, Chem. Phys. Lett. 42, 383 (1976)"
  ]
}

Table 1: band oscillator strengths of the assigned diffuse bands, rows E0-E2 (E 3Sigma_u-, v’ = 0-2) and Pi0-Pi2 (2 3Pi_u, v’ = 0-2); theory (configuration interaction), the source of the assignments (note a).

chan_1993_o2/bands_yoshimine_1976#

{
  "id": "bands_yoshimine_1976",
  "material": "O2",
  "file": "O2/chan_1993_o2__bands_yoshimine_1976.csv",
  "table": "tbl_64a7a5d7efc8",
  "quantity": "oscillator_strength",
  "abscissa": "label",
  "use": "reproduced",
  "reproduced_from": [
    "M. Yoshimine, K. Tanaka, H. Tatewaki, S. Obara, F. Sadaki and K. Ohno, J. Chem. Phys. 64, 2254 (1976)"
  ]
}

Table 1: band oscillator strengths of the assigned diffuse bands, rows E0-E2 (E 3Sigma_u-, v’ = 0-2) and Pi0-Pi2 (2 3Pi_u, v’ = 0-2); theory (configuration interaction).

chan_1993_o2/bands_li_1992#

{
  "id": "bands_li_1992",
  "material": "O2",
  "file": "O2/chan_1993_o2__bands_li_1992.csv",
  "table": "tbl_64a7a5d7efc8",
  "quantity": "oscillator_strength",
  "abscissa": "label",
  "use": "reproduced",
  "reproduced_from": [
    "Y. Li, M. Honigmann, K. Bhanuprakash, G. Hirsch, R. J. Buenker, M. A. Dillon and M. Kimura, J. Chem. Phys. 96, 8314 (1992)"
  ]
}

Table 1: band oscillator strengths of the assigned diffuse bands, rows E0-E2 (E 3Sigma_u-, v’ = 0-2) and Pi0-Pi2 (2 3Pi_u, v’ = 0-2); theory (configuration interaction).