shiner_1993#
D. Shiner, J. M. Gilligan, B. M. Cook and W. Lichten, “H2, D2, and HD ionization potentials by accurate calibration of several iodine lines”, Phys. Rev. A 47, 4042 (1993)
Source record · Catalogue · Review register
Source kind: measurement
Recorded technique: Absolute frequencies of seven Doppler-free (saturation spectroscopy) I2 lines near 604 nm, measured by interferometric comparison with an iodine-stabilised He-Ne laser at 633 nm (accuracy 250 kHz, the day-to-day standard deviation). They recalibrate Gilligan & Eyler’s (1992) two-photon EF <- X transition energies of H2, D2 and HD (Table III); the ionisation potentials (Table IV) combine these with the published EF -> ionisation-limit intervals from high Rydberg states (McCormack et al. 1989; Jungen et al. 1990, 1992; Gilligan & Eyler 1992) (pp. 4042-4044).
Materials in structured entries: D2, H2
Dataset quantities: ionization_energy
Contents: 5 datasets; 0 formulas.
Curation notes#
PDF pages 1-4 = journal pages 4042-4045. Identity checked on the first page.
EXTRACTED: Table IV (p. 4044, tbl_f2f1c838c202, cells only; image checked), ‘Ionization potential of H2, HD, and D2 (cm^-1)’: - H2, 124 417.507(12) cm^-1, footnote a ‘Reference [2] and Table III’: McCormack et al.’s (Phys. Rev. A 39, 2260 (1989)) EF -> limit measurement combined with this paper’s EF <- X energies. The paper’s own combination: primary. - H2, 124 417.484(17) cm^-1, footnote c ‘Reference [3], Table III, and Ref. [24]’ (Jungen et al., J. Chem. Phys. 93, 2289 (1990), and Ch. Jungen, private communication): primary likewise. The two H2 values differ by 0.023 cm^-1 (1.1 combined sigma). - D2, 124 745.353(24) cm^-1, footnote e ‘Reference [4], which uses the results given in Table III’: the value of Jungen et al., J. Mol. Spectrosc. 153, 11 (1992), which already used Shiner et al.’s calibration; recorded as reproduced from it. (liu_2010’s Table IV attributes the same number both to Gilligan & Eyler 1992 with Jungen et al. 1992 and to this paper.) - The ab initio column, footnote b ‘Reference [18]’ (W. Kolos, private communication): ‘the results of new ab initio calculations by Kolos and Rychlewski [17]’ (p. 4044): H2 124 417.471, D2 124 745.377 cm^-1, reproduced. The ionisation levels are not stated; the values (H2 near 124 417.5 cm^-1, D2 124 745.35 cm^-1) are those of the rotationless N = 0 -> N+ = 0 interval (compare liu_2010 and holsch_2019). The uncertainties are not given a confidence level; the iodine calibration’s 250 kHz is a day-to-day standard deviation (p. 4043), and ‘the uncertainty in the energy interval from the EF state to the ionization limit now dominates the errors’ (p. 4044). In eV (not printed; hc = 1.239841984e-4 eV cm): 124 417.507 cm^-1 = 15.425805 eV; 124 417.484 = 15.425802 eV; 124 745.353 = 15.466453 eV.
DISCUSSION (p. 4044): theory and experiment agree except for ‘the three-standard-deviation discrepancy between the theoretical value of the ionization potential of H2 and the measured value obtained by combining the Rydberg state measurements by McCormack et al. [2] with the improved EF state energies’; Kolos’s earlier binding energies (Kolos, Szalewicz & Monkhorst 1986) ‘must be corrected by 0.065, 0.016, and 0.041 cm^-1’ for H2, D2 and HD.
NOT EXTRACTED (notes only): HD (not a curated species): 124 568.481(12) cm^-1 (footnote d, Gilligan & Eyler 1992 and Table III), ab initio 124 568.465, difference +0.016(12). The difference column (+0.036(12), +0.013(17), -0.024(24) for H2 a, H2 c, D2): derived. Table III (p. 4044): EF <- X transition energies (cm^-1): H2 Q(0) 99 164.782(3), Q(1) 99 109.727(3); D2 Q(0) 99 461.440(3), Q(1) 99 433.710(3), Q(2) 99 378.387(2); HD Q(0) 99 301.340(3), Q(1) 99 259.912(3). Tables I, II, V: iodine line frequencies (out of scope).
Recorded bibliographic identity status: VALIDATED_WITH_WARNINGS. This concerns identification of the source; it does not establish the scientific correctness of its contents.
Datasets#
shiner_1993/mccormack_H2#
{
"id": "mccormack_H2",
"material": "H2",
"file": "H2/shiner_1993__mccormack_H2.csv",
"table": "tbl_f2f1c838c202",
"quantity": "ionization_energy",
"unit": "cm-1",
"abscissa": "label",
"use": "primary",
"parameters": {
"kind": "adiabatic",
"final_state": "X+ 2Sigma_g+ (v+ = 0), rotationless level (not stated; record notes)"
},
"uncertainty": {
"column": true,
"level": "not stated"
}
}
Table IV, H2, footnote a (‘Reference [2] and Table III’): McCormack et al.’s Rydberg-state measurement with this paper’s recalibrated EF <- X energies. Levels not stated (rotationless, by comparison; record notes). Level of (12) not stated.
shiner_1993/jungen_1990_H2#
{
"id": "jungen_1990_H2",
"material": "H2",
"file": "H2/shiner_1993__jungen_1990_H2.csv",
"table": "tbl_f2f1c838c202",
"quantity": "ionization_energy",
"unit": "cm-1",
"abscissa": "label",
"use": "primary",
"parameters": {
"kind": "adiabatic",
"final_state": "X+ 2Sigma_g+ (v+ = 0), rotationless level (not stated; record notes)"
},
"uncertainty": {
"column": true,
"level": "not stated"
}
}
Table IV, H2, footnote c (‘Reference [3], Table III, and Ref. [24]’): Jungen et al.’s 1990 Rydberg analysis with this paper’s EF <- X energies and a private communication from Jungen. Levels not stated (record notes). Level of (17) not stated.
shiner_1993/jungen_1992_D2#
{
"id": "jungen_1992_D2",
"material": "D2",
"file": "D2/shiner_1993__jungen_1992_D2.csv",
"table": "tbl_f2f1c838c202",
"quantity": "ionization_energy",
"unit": "cm-1",
"abscissa": "label",
"use": "reproduced",
"reproduced_from": [
"Ch. Jungen, I. Dabrowski, G. Herzberg and M. Vervloet, J. Mol. Spectrosc. 153, 11 (1992)"
],
"parameters": {
"kind": "adiabatic",
"final_state": "X+ 2Sigma_g+ (v+ = 0), rotationless level (not stated; record notes)"
},
"uncertainty": {
"column": true,
"level": "not stated"
}
}
Table IV, D2, footnote e: ‘Reference [4], which uses the results given in Table III’. Jungen et al.’s value, computed with this paper’s calibration of the EF <- X energies. Levels not stated (record notes).
shiner_1993/ab_initio_H2#
{
"id": "ab_initio_H2",
"material": "H2",
"file": "H2/shiner_1993__ab_initio_H2.csv",
"table": "tbl_f2f1c838c202",
"quantity": "ionization_energy",
"unit": "cm-1",
"abscissa": "label",
"use": "reproduced",
"reproduced_from": [
"W. Kolos (private communication), the calculations of W. Kolos and J. Rychlewski (unpublished; J. Chem. Phys. 98, 3960 (1993))"
],
"parameters": {
"kind": "adiabatic",
"final_state": "X+ 2Sigma_g+ (v+ = 0), rotationless level (not stated; record notes)"
}
}
Table IV, ‘Ab initio theory’, footnote b (Ref. [18], Kolos, private communication): ‘new ab initio calculations by Kolos and Rychlewski [17]’ (p. 4044). No uncertainty given. The published reference in brackets is liu_2010’s citation (Ref. 35) for the same D2 number.
shiner_1993/ab_initio_D2#
{
"id": "ab_initio_D2",
"material": "D2",
"file": "D2/shiner_1993__ab_initio_D2.csv",
"table": "tbl_f2f1c838c202",
"quantity": "ionization_energy",
"unit": "cm-1",
"abscissa": "label",
"use": "reproduced",
"reproduced_from": [
"W. Kolos (private communication), the calculations of W. Kolos and J. Rychlewski (unpublished; J. Chem. Phys. 98, 3960 (1993))"
],
"parameters": {
"kind": "adiabatic",
"final_state": "X+ 2Sigma_g+ (v+ = 0), rotationless level (not stated; record notes)"
}
}
Table IV, ‘Ab initio theory’, footnote b: 124 745.377 cm^-1, no uncertainty; the same number as liu_2010/kolos_1993_D2.
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.