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S2 anion

Constants of diatomic molecules

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Klaus P. Huber and Gerhard H. Herzberg

Data collected through July, 1977

Symbols used in the table of constants
State electronic state and / or symmetry symbol
Te minimum electronic energy (cm-1)
ωe vibrational constant – first term (cm-1)
ωexe vibrational constant – second term (cm-1)
ωeye vibrational constant – third term (cm-1)
Be rotational constant in equilibrium position (cm-1)
αe rotational constant – first term (cm-1)
γe rotation-vibration interaction constant (cm-1)
De centrifugal distortion constant (cm-1)
βe rotational constant – first term, centrifugal force (cm-1)
re internuclear distance (Å)
Trans. observed transition(s) corresponding to electronic state
ν00 position of 0-0 band (units noted in table)
Diatomic constants for 32S2-
Constants for the following states are for S2- ions dissolved in KI crystals, from spectra studied at 2K Ikezawa and Rolfe, 1973 Vella and Rolfe, 1974; see also Sawicki and Fitchen, 1976. Host crystals other than KI lead to somewhat different values.
A' (2Piu) 20220 1 364.25 2 2.00        A' larrow X 20102
Vella and Rolfe, 1974
A (2Piu) 20143          A rarrow X' 19452
Ikezawa and Rolfe, 1973; Sawicki and Fitchen, 1976
           A lrarrow X 20025
Rolfe, 1968; Ikezawa and Rolfe, 1973; Vella and Rolfe, 1974; Sawicki and Fitchen, 1976
X' (2Pig,i) 573 1 600.8 3.01       3  
Holzer, Murphy, et al., 1969; Sawicki and Fitchen, 1976
X (2Pig,i) 0 600.8 4 2.16       5  
Vannotti and Morton, 1967


1The splitting is due to the crystal field, not spin-orbit coupling which in the 2Pig state amounts to approximately -420 cm-1 Vannotti and Morton, 1967, Vella and Rolfe, 1974.
2The Raman spectrum of ions pumped into this state by laser irradiation consists of a sharp line shifted by 362 cm-1 Holzer, Racine, et al., 1973.
3Raman sp.
4 Holzer, Murphy, et al., 1969 predict a gas phase frequency ~550 cm-1.
5EPR sp.
6From D00(S2) and the electron affinities of S2 and S.
7From laser photodetachment experiments Celotta, Bennett, et al., 1974.


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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Ikezawa and Rolfe, 1973
Ikezawa, M.; Rolfe, J., Zero-phonon transitions in O2-, S2-, and Se2-, and SeS- molecules dissolved in alkali halide crystals, J. Chem. Phys., 1973, 58, 2024. [all data]

Vella and Rolfe, 1974
Vella, G.J.; Rolfe, J., Zero-phonon absorption transitions in S2- and Se2- molecules dissolved in potassium iodide crystals, J. Chem. Phys., 1974, 61, 41. [all data]

Sawicki and Fitchen, 1976
Sawicki, C.A.; Fitchen, D.B., Laser-excited spectra and reorientation of the S2- ion in alkali halides, J. Chem. Phys., 1976, 65, 11, 4497-4507. [all data]

Rolfe, 1968
Rolfe, J., Emission spectra of S2-, Se2-, and SeS- ions in KI crystals, J. Chem. Phys., 1968, 49, 4193. [all data]

Holzer, Murphy, et al., 1969
Holzer, W.; Murphy, W.F.; Bernstein, H.J., Raman spectra of negative molecular ions doped in alkali halide crystals, J. Mol. Spectrosc., 1969, 32, 13. [all data]

Vannotti and Morton, 1967
Vannotti, L.E.; Morton, J.R., Paramagnetic-resonance spectra of S2- in alkali halides, Phys. Rev., 1967, 161, 2, 282-286. [all data]

Holzer, Racine, et al., 1973
Holzer, W.; Racine, S.; Cipriani, J., Intensity and line shape study of resonance Raman effect of S2- and S3- doped in a potassium iodide single crystal in Advances in Raman Spectroscopy, J.P. Mathieu, ed(s)., Heyden & Son Ltd., New York, 1973, 393-400. [all data]

Celotta, Bennett, et al., 1974
Celotta, R.S.; Bennett, R.A.; Hall, J.L., Laser Photodetachment Determination of the Electron Affinities of OH, NH2, NH, SO2, and S2, J. Chem. Phys., 1974, 60, 5, 1740, https://doi.org/10.1063/1.1681268 . [all data]


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