potts_1970#
A. W. Potts, H. J. Lempka, D. G. Streets and W. C. Price, “Photoelectron spectra of the halides of elements in groups III, IV, V and VI”, Phil. Trans. R. Soc. Lond. A 268, 59 (1970)
Source record · Catalogue · Review register
Source kind: measurement
Recorded technique: He I (584 A) and He II (304 A) photoelectron spectroscopy of the halides of B, C, N, P, As, S, Se, Te and U (a contribution to the Royal Society Discussion on photoelectron spectroscopy); the SF6 spectrum is given with the 304 A intensities, ‘since the spectrum obtained with 584 A irradiation ... is grossly distorted by autoionization’ (p. 74).
Materials in structured entries: SF6
Dataset quantities: ionization_energy
Contents: 1 dataset; 0 formulas.
Curation notes#
PDF pages 1-18 = journal pages 59-76 (pages cited are journal pages). Identity checked on the first page. SF6 is the only curated species; the boron trihalides (Table 1), halomethanes (Tables 2-5), the trihalides of N, P and As (Tables 6-7) and the hexafluorides of Se, Te and U are out of scope.
WHAT THE VALUES ARE (Table 1’s note, p. 60): ‘Tables give band maxima and in some cases the ionization energies of associated structure.’ So Table 8’s SF6 values are band maxima: vertical ionisation energies. No uncertainty is stated.
SF6, TABLE 8 (p. 75; ‘Ionization energies of the hexafluorides of S and U (eV)’; not in the library’s tables (the extraction renders it as text under Fig. 9), read on the page image): 26.8 a1; 22.5 t2g; 19.68 t1u; 18.71 t2u; 18.40 e1g; 16.96 t1g; 15.69 t1u. The orbital labels are as printed (e1g for e_g). The text’s numbering (pp. 74-76) is 2a1g (26.8, ‘a sharp peak ... which no doubt corresponds to the 2a1g (3s, S) orbital’), 1t2g (22.5), 2t1u (19.7), 1t2u (18.71), 1eg (18.4), 1t1g (16.96), 3t1u (15.69, ‘the 3t1u orbital since it is to be associated with the strong Rydberg band ... at 11.7 eV’).
DOUBTS (pp. 74, 76): - ‘Note added in proof: The order of 1t2g and 2t1u is difficult to establish with certainty. It appears now that 2t1u is innermost ... The following text giving reasons for the alternative order has not been altered but figure 9 has been changed.’ Table 8 keeps the original order (22.5 t2g, 19.68 t1u); Fig. 9 (revised) labels the 19.7 eV band t2g and the 22.5 eV band t1u. The energies are not affected; the assignments of those two rows are uncertain. - p. 76 prints ‘This leaves the peak at 11.96 eV to be assigned to 1t1g ... This (16.96 eV) band’: 11.96 is a misprint in the text for 16.96 (Table 8 and the next sentence). Not a dataset value; no erratum needed.
OTHER SF6 TEXT VALUES (notes): from Codling’s (1966) Rydberg absorption bands, ‘an ionization potential of 22.46 is obtained which is in good agreement with the photoelectron value’ (p. 74); Rydberg bands at 11.7 eV (Nostrand & Duncan) and 15.5 to 16.5 eV, electron energy-loss peaks at 11.6, 15, 17.5 and 21 eV (Simpson et al. 1966), a weak u.v. absorption at 14.35 eV (pp. 74-76). The 18.4 eV band’s intensity is about two-thirds of the adjacent triply degenerate bands’ (p. 75).
Recorded bibliographic identity status: VALIDATED_WITH_WARNINGS. This concerns identification of the source; it does not establish the scientific correctness of its contents.
Datasets#
potts_1970/vertical_SF6#
{
"id": "vertical_SF6",
"material": "SF6",
"table": "text",
"quantity": "ionization_energy",
"unit": "eV",
"abscissa": "label",
"use": "primary",
"parameters": {
"kind": "vertical",
"final_state": "the row's orbital hole (orbital as printed; text numbering in the row id)"
}
}
7 inline points in the source record.
Table 8, p. 75 (read on the page image): the SF6 band maxima, ‘Ionization energies ... (eV)’, with the orbital labels as printed and the text’s numbering in parentheses (row ids). Band maxima (Table 1’s note, p. 60): vertical. No uncertainty stated. The assignments of 19.68 (t1u) and 22.5 (t2g) were reversed in proof (record notes). The first row, 15.69 eV (the 3t1u^-1 band, the first band of the spectrum), is the NIST WebBook’s vertical value.
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.