wang_1988

L.-S. Wang, J. E. Reutt, Y. T. Lee and D. A. Shirley, “High resolution UV photoelectron spectroscopy of CO2+, COS+ and CS2+ using supersonic molecular beams”, J. Electron Spectrosc. Relat. Phenom. 47, 167 (1988)

Source record · Catalogue · Review register

DOI: 10.1016/0368-2048(88)85010-2

Source kind: measurement

Recorded technique: He I (584 A) photoelectron spectroscopy of supersonic molecular beams (CO2 expanded pure at 900 Torr through a 70 um nozzle; rotational cooling, no Doppler broadening, no inelastic-scattering features), electrons detected at 90 deg to both beams with a hemispherical analyser (pass energy 1 eV) and a multichannel detector; an Ar photoelectron spectrum after each scan for calibration (energy-scale shift within +-2 meV per scan); resolution 12 meV FWHM on Ar+ 2P3/2 for CO2 (pp. 168-169).

Materials in structured entries: CO2

Dataset quantities: ionization_energy

Contents: 2 datasets; 0 formulas.

Curation notes

PDF pages 1-20 = journal pages 167-186. Identity checked on the first page. CO2 is the only curated species (COS and CS2 in notes).

EXTRACTED: - Table 1 (p. 171, tbl_e1db285ab087, image checked), ‘Adiabatic ionization potentials (eV) of CO2, COS and CS2’: CO2 X 2Pi_g 13.778, A 2Pi_u 17.314, B 2Sigma_u+ 18.077, C 2Sigma_g+ 19.394 eV. Footnote b (on the CO2 X value): ‘The uncertainties are +-0.002 eV’; Table 3’s footnote a: ‘The absolute peak positions can only be determined within +-0.002 eV’. The +-0.002 eV is applied to all four (level not stated). Each is the (000) peak of the lower spin-orbit component where there is one: X 13.778 is Table 3’s 13.7778 (000, Omega = 3/2), A 17.314 is Table 6’s 17.3145 (000, Omega = 3/2), B 18.077 is Table 9’s 18.0771 (000). - Table 3 (p. 173, tbl_25887e8a6993, cells only; image checked): the 23 peaks of the X 2Pi_g band with their vibrational assignments (v1 v2 v3) in the Omega = 3/2 and 1/2 components; the parenthesised digits are the precision of the relative positions, kept in the printed column only. Recorded as a check dataset: its (000) Omega = 3/2 row is Table 1’s X value unrounded (not a second determination), and the other rows are vibronic levels of the ion. The first row, 13.7579 eV, is a hot band (2_1^1, from the neutral’s bending level): excluded.

VERTICAL: the paper states no vertical ionisation energy. In the X band ‘very little vibrational excitation is observed’ (p. 171); the (000) doublet, 13.7778 (Omega = 3/2) and 13.7973 eV (Omega = 1/2), carries almost all the intensity, the two peaks of about equal height (Fig. 3, p. 172), so the band maximum is at the (000) doublet. The NIST WebBook’s vertical value 13.79 eV (Potts & Williams 1974, potts_1974, itself from Turner et al. 1970) lies between them.

SPECTROSCOPIC CONSTANTS (Table 2, p. 171; notes only): CO2+ X 2Pi_g nu1 1264(1), nu3 1470(1) (= 1/2 of 2 nu3), A (spin-orbit) 158(4) cm^-1; A 2Pi_u nu1 1126(3), nu2 459(8), A 96(8); B 2Sigma_u+ nu1 1275(1), nu2 557(4), nu3 1840(5); C 2Sigma_g+ nu1 1352(4) (corrected for the Fermi resonance), nu2 614(4), nu3 1567(4) cm^-1.

NOT EXTRACTED: Tables 4-5, 7-8, 10-11 (COS+ and CS2+ bands) and Tables 6 and 9 (the CO2+ A, B and C bands’ peaks) (pp. 174-181); COS and CS2 adiabatic IPs of Table 1: COS 11.185, 15.078, 16.042, 17.957; CS2 10.080, 12.698, 14.477, 16.190 eV (X, A, B, C).

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

Datasets

wang_1988/adiabatic_CO2

{
  "id": "adiabatic_CO2",
  "material": "CO2",
  "file": "CO2/wang_1988__adiabatic_CO2.csv",
  "table": "tbl_e1db285ab087",
  "quantity": "ionization_energy",
  "unit": "eV",
  "abscissa": "label",
  "use": "primary",
  "parameters": {
    "kind": "adiabatic",
    "final_state": "the row's state of CO2+, (000) level (Omega = 3/2 for X and A)"
  },
  "uncertainty": {
    "absolute": 0.002,
    "level": "not stated"
  }
}

Table 1, p. 171: the adiabatic ionisation potentials of CO2 to the X, A, B and C states of CO2+ (rows), each the (000) peak of the state’s lower spin-orbit component (record notes). +-0.002 eV (footnote b; Table 3 footnote a), level not stated.

wang_1988/x_band_CO2

{
  "id": "x_band_CO2",
  "material": "CO2",
  "file": "CO2/wang_1988__x_band_CO2.csv",
  "table": "tbl_25887e8a6993",
  "quantity": "ionization_energy",
  "unit": "eV",
  "abscissa": "label",
  "use": "check",
  "excluded_rows": {
    "hot_band": "a hot band (2_1^1, H.B.): from the neutral's excited bending level, not from its ground level"
  },
  "parameters": {
    "kind": "adiabatic (to the row's vibronic level)",
    "final_state": "the row's level of CO2+ X 2Pi_g (v1 v2 v3, Omega)"
  },
  "uncertainty": {
    "absolute": 0.002,
    "level": "not stated"
  }
}

Table 3, p. 173: the peak positions of the CO2+ X 2Pi_g band, one row per assigned vibronic level (v1 v2 v3, Omega). Absolute positions +-0.002 eV (footnote a); the relative-position precision is in the printed column. A check dataset: the (000) Omega = 3/2 row is the adiabatic value of Table 1 (adiabatic_CO2), and the other rows are ionisation energies to vibrationally or spin-orbit excited levels of the ion.

Formulas

No formulas are recorded.

Corrections

No dataset errata are recorded in this source record.

Formula corrections, where recorded, appear with their formulas above. Curation notes may also discuss corrections or unresolved interpretation. Consult the review register for the checks and decisions.