Sulfur dimer

• Formula: S₂
• Molecular weight: 64.130
• IUPAC Standard InChI: InChI=1S/S2/c1-2 Copy

  
• IUPAC Standard InChIKey: MAHNFPMIPQKPPI-UHFFFAOYSA-N Copy
• CAS Registry Number: 23550-45-0
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
  The 3d structure may be viewed using Java or Javascript.
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Gas phase thermochemistry data
  • Reaction thermochemistry data
  • Gas phase ion energetics data
  • Ion clustering data
  • Constants of diatomic molecules
  • References
  • Notes
• Data at other public NIST sites:
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Gas phase thermochemistry data

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

Gas Phase Heat Capacity (Shomate Equation)

C_p° = A + B*t + C*t² + D*t³ + E/t²
H° − H°_298.15= A*t + B*t²/2 + C*t³/3 + D*t⁴/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t²/2 + D*t³/3 − E/(2*t²) + G
    C_p = heat capacity (cal/mol*K)
    H° = standard enthalpy (kcal/mol)
    S° = standard entropy (cal/mol*K)
    t = temperature (K) / 1000.

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Reaction thermochemistry data

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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 as indicated in comments:
B - John E. Bartmess
RCD - Robert C. Dunbar

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

(HS₂^- • 4294967295) +  = HS₂^-

By formula: (HS₂^- • 4294967295S₂) + S₂ = HS₂^-

(OS₂^- • 4294967295) +  = OS₂^-

By formula: (OS₂^- • 4294967295S₂) + S₂ = OS₂^-

( • ) +  = ( • 2)

By formula: (V⁺ • S₂) + S₂ = (V⁺ • 2S₂)

( • ) +  = ( • 2)

By formula: (Mo⁺ • S₂) + S₂ = (Mo⁺ • 2S₂)

 +  = ( • )

By formula: V⁺ + S₂ = (V⁺ • S₂)

 +  = ( • )

By formula: Mo⁺ + S₂ = (Mo⁺ • S₂)

Gas phase ion energetics data

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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 evaluated as indicated in comments:
L - Sharon G. Lias

Data compiled as indicated in comments:
B - John E. Bartmess
LL - Sharon G. Lias and Joel F. Liebman
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to S₂⁺ (ion structure unspecified)

Electron affinity determinations

Ionization energy determinations

Appearance energy determinations

Anion protonation reactions

S₂^- +  = HS₂

By formula: S₂^- + H⁺ = HS₂

Ion clustering data

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Constants of diatomic molecules, References, Notes

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

Data compiled as indicated in comments:
B - John E. Bartmess
RCD - Robert C. Dunbar

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

(HS₂^- • 4294967295) +  = HS₂^-

By formula: (HS₂^- • 4294967295S₂) + S₂ = HS₂^-

 +  = ( • )

By formula: Mo⁺ + S₂ = (Mo⁺ • S₂)

( • ) +  = ( • 2)

By formula: (Mo⁺ • S₂) + S₂ = (Mo⁺ • 2S₂)

(OS₂^- • 4294967295) +  = OS₂^-

By formula: (OS₂^- • 4294967295S₂) + S₂ = OS₂^-

 +  = ( • )

By formula: V⁺ + S₂ = (V⁺ • S₂)

( • ) +  = ( • 2)

By formula: (V⁺ • S₂) + S₂ = (V⁺ • 2S₂)

Constants of diatomic molecules

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, References, Notes

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

Notes

References

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Constants of diatomic molecules, Notes

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

Cox, Wagman, et al., 1984
Cox, J.D.; Wagman, D.D.; Medvedev, V.A., CODATA Key Values for Thermodynamics, Hemisphere Publishing Corp., New York, 1984, 1. [all data]

Chase, 1998
Chase, M.W., Jr., NIST-JANAF Themochemical Tables, Fourth Edition, J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]

Entfellner and Boesl, 2009
Entfellner, M.; Boesl, U., Photodetachment-photoelectron spectroscopy of disulfanide: the ground and first excited electronic state of HS2 and DS2, Phys. Chem. Chem. Phys., 2009, 11, 15, 2657-2662, https://doi.org/10.1039/b820174a . [all data]

Moran and Ellison, 1988
Moran, S.; Ellison, G.B., Photoelectron Spectroscopy of Sulfur Ions, J. Phys. Chem., 1988, 92, 7, 1794, https://doi.org/10.1021/j100318a021 . [all data]

Nimlos and Ellison, 1986
Nimlos, M.R.; Ellison, G.B., Photoelectron spectroscopy of SO₂^-, S₃^-, and S₂O^-, J. Phys. Chem., 1986, 90, 2574. [all data]

Schroeder, Kretzschmar, et al., 2003
Schroeder, D.; Kretzschmar, I.; Schwarz; Armentrout, P.B., Structure, Thermochemistry, and Reactivityof MSn+ Cations (M=V,Mo; n=1-3) in the Gas Phase, Int. J. Mass Spectrom., 2003, 228, 2-3, 439, https://doi.org/10.1016/S1387-3806(03)00137-4 . [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]

Hunsicker, Jones, et al., 1995
Hunsicker, S.; Jones, R.O.; Gantefor, G., Rings and chains in sulfur cluster anions S- to S-9(-): Theory (simulated annealing) and experiment (photoelectron detachment), J. Chem. Phys., 1995, 102, 15, 5917, https://doi.org/10.1063/1.469326 . [all data]

Dillard and Franklin, 1968
Dillard, J.G.; Franklin, J.L., Ion-Molecule Reactions of Negative Ions. I. Negative Ions of Sulfur, J. Chem. Phys., 1968, 48, 5, 2349, https://doi.org/10.1063/1.1669435 . [all data]

Thynne, 1972
Thynne, J.C.J., Negative Ion Studies with a Time-of-Flight Mass Spectrometer., Dyn. Mass Spectrom., 1972, 3, 67. [all data]

Bender, Carnovale, et al., 1988
Bender, H.; Carnovale, F.; Peel, J.B.; Wentrup, C., Dinitrogen sulfide, N₂S, revealed by photoelectron spectroscopy, J. Am. Chem. Soc., 1988, 110, 3458. [all data]

Liao and Ng, 1986
Liao, C.; Ng, C., Molecular beam photoionization study of S₂, J. Chem. Phys., 1986, 84, 788. [all data]

Rosinger, Grade, et al., 1983
Rosinger, W.; Grade, M.; Hirschwald, W., Detection of ion states of S₂ to S₈ by electron impact, Int. J. Mass Spectrom. Ion Processes, 1983, 47, 239. [all data]

Grade, Wienecke, et al., 1983
Grade, M.; Wienecke, J.; Rosinger, W.; Hirschwald, W., Electron impact investigation of the molecules SeS(g) and TeSe(g) under high-temperature equilibrium conditions, Ber. Bunsen-Ges. Phys. Chem., 1983, 87, 355. [all data]

Lau, Brittain, et al., 1982
Lau, K.H.; Brittain, R.D.; Hildenbrand, D.L., Vaporization of As₂S₃ and the dissociation energy of AsS, J. Phys. Chem., 1982, 86, 4429. [all data]

Coppens, Reynaert, et al., 1979
Coppens, P.; Reynaert, J.C.; Drowart, J., Mass spectrometric study of the photoionization of carbon disulphide in the wavelength interval 125-60nm, J. Chem. Soc. Faraday Trans. 2, 1979, 75, 292. [all data]

Tal'roze, Butkovskaya, et al., 1978
Tal'roze, V.L.; Butkovskaya, N.I.; Larichev, M.N.; Leipunskii, I.O.; Morozov, I.I.; Dodonov, A.F.; Kudrov, B.V.; Zelenov, V.V.; Raznikov, V.V., Advances in the mass spectrometry of free radicals, Adv. Mass Spectrom., 1978, 7, 693. [all data]

Smoes, Drowart, et al., 1977
Smoes, S.; Drowart, J.; Welter, J.M., Thermodynamic study of the vaporization of europium monosulfide by Knudsen-cell mass spectrometry atomization energies of EuS(g), Eu₂S(g), EuS₂(g), Eu₂O(g), Eu₂O₂(g), Eu₂OS(g), and Eu₂S₂(g), J. Chem. Thermodyn., 1977, 9, 275. [all data]

Piacente, Bardi, et al., 1976
Piacente, V.; Bardi, G.; di Paolo, V.; Ferro, D., The vapour pressure over Ga₂S₂ and Ga₂Se₂, J. Chem. Thermodyn., 1976, 8, 391. [all data]

Hildenbrand, 1975
Hildenbrand, D.L., Vertical ionization potential of the CF₂ radical, Chem. Phys. Lett., 1975, 32, 30. [all data]

Golob, Jonathan, et al., 1975
Golob, L.; Jonathan, N.; Morris, A.; Okuda, M.; Ross, K.J.; Smith, D.J., Vacuum ultraviolet photoelectron spectroscopy of transient species, J. Chem. Soc. Faraday Trans. 2, 1975, 71, 1026. [all data]

Berkowitz, 1975
Berkowitz, J., PES of high temperature vapors. VII. S₂ and Te₂, J. Chem. Phys., 1975, 62, 4074. [all data]

Muenow and Margrave, 1972
Muenow, D.W.; Margrave, J.L., Mass spectrometric observations of gaseous phosphorus sulfides and oxysulfides, J. Inorg. Nucl. Chem., 1972, 34, 89. [all data]

Hildenbrand, 1972
Hildenbrand, D.L., Thermochemistry of the molecules CS and CS⁺, Chem. Phys. Lett., 1972, 15, 379. [all data]

Donovan, Husain, et al., 1970
Donovan, R.J.; Husain, D.; Stevenson, C.D., Vacuum ultra-violet spectra of transient molecules and radicals. Part 1. CS and S₂, J. Chem. Soc. Faraday Trans., 1970, 66, 1. [all data]

Barrow, duParcq, et al., 1969
Barrow, R.F.; duParcq, R.P.; Ricks, J.M., Rotational analysis of the C 3Σ_u--X 3g- system of ³²S₂, J. Phys. B:, 1969, 2, 413. [all data]

Berkowitz and Lifshitz, 1968
Berkowitz, J.; Lifshitz, C., Photoionization of high temperature vapors. II. Sulfur molecular species, J. Chem. Phys., 1968, 48, 4346. [all data]

Wu and Fehlner, 1976
Wu, M.; Fehlner, T.P., Valence level photoelectron spectra of some heavy group 4-6 diatomic molecules, J. Am. Chem. Soc., 1976, 98, 7578. [all data]

Berkowitz and Chupka, 1969
Berkowitz, J.; Chupka, W.A., Photoionization of high-temperature vapors. VI. S₂, Se₂, and Te₂, J. Chem. Phys., 1969, 50, 4245. [all data]

Goodings, Bohme, et al., 1986
Goodings, J.M.; Bohme, D.K.; Elguindi, K.; Fox, A., Sulphur Anion Chemistry in Hydrocarbon Flames with H₂S, OCS, and SO₂ Additives, Can. J. Chem., 1986, 64, 4, 689, https://doi.org/10.1139/v86-110 . [all data]

Mahajan, Lakshminarayana, et al., 1976
Mahajan, C.G.; Lakshminarayana, G.; Narasimham, N.A., Rydberg transitions of S₂, Indian J. Pure Appl. Phys., 1976, 14, 488. [all data]

Tanaka and Ogawa, 1962
Tanaka, Y.; Ogawa, M., Emission spectrum of S₂ in the vacuum ultraviolet region, J. Chem. Phys., 1962, 36, 726. [all data]

Ricks and Barrow, 1969
Ricks, J.M.; Barrow, R.F., The D³Π state of S₂, J. Phys. B:, 1969, 2, 906. [all data]

Barrow and Du Parcq, 1968
Barrow, R.F.; Du Parcq, R.P., ¹Δ_u-¹Δ_g transitions in gaseous S₂, J. Phys. B:, 1968, 1, 283. [all data]

Wieland, Wehrli, et al., 1934
Wieland, K.; Wehrli, M.; Miescher, E., Ein neues absorptionsspektrum von zweiatomarem schwefeldampf im Schumanngebiet, Helv. Phys. Acta, 1934, 7, 843. [all data]

Carleer and Colin, 1970
Carleer, M.; Colin, R., The f¹Δ_u-a¹Δ_g band system of S₂ in absorption, J. Phys. B:, 1970, 3, 1715. [all data]

Narasimham, 1964
Narasimham, N.A., The emission spectrum of S₂ molecule, Curr. Sci., 1964, 33, 261. [all data]

Narasimham and Apparao, 1966
Narasimham, N.A.; Apparao, K.V.S.R., Isotope shifts in the near infra-red bands of diatomic sulphur, Nature (London), 1966, 210, 1034. [all data]

Meakin and Barrow, 1962
Meakin, J.E.; Barrow, R.F., The electronic spectrum of S₂, Can. J. Phys., 1962, 40, 377. [all data]

Olsson, 1938
Olsson, Dissertation, Stockholm, 1938, 0. [all data]

Ikenoue, 1960
Ikenoue, K., Rotational structure of the band spectrum of S₂ molecule. Part II., Sci. Light (Tokyo), 1960, 9, 79. [all data]

Barrow and du Parcq, 1965
Barrow, R.F.; du Parcq, R.P., Electronic spectrum and electronic states of S₂ in Elemental Sulphur, Meyer, ed(s)., Interscience, New York, 1965, 251-263. [all data]

Yee, Barrow, et al., 1972
Yee, K.K.; Barrow, R.F.; Rogstad, A., Resonance fluorescence and Raman spectra of gaseous sulphur, J. Chem. Soc. Faraday Trans. 2, 1972, 68, 1808. [all data]

Freedman and Jones, 1975
Freedman, P.A.; Jones, W.J., Rotational Raman spectrum of sulphur dimer, J. Chem. Soc. Faraday Trans. 2, 1975, 71, 286. [all data]

Wayne, Davies, et al., 1974
Wayne, F.D.; Davies, P.B.; Thrush, B.A., The gas-phase E.P.R. spectrum of diatomic sulphur molecules, Mol. Phys., 1974, 28, 989. [all data]

Channappa, Pendlebury, et al., 1967
Channappa, K.H.; Pendlebury, J.M.; Smith, K.F., Atomic beam radiofrequency spectroscopy of S³² S³² molecules in La structure hyperfine magnetique des atomes et des molecules, Moser and Lefebvre, ed(s)., Paris, 1967, 73-81. [all data]

Donovan, Husain, et al., 1968
Donovan, R.J.; Husain, D.; Jackson, P.T., Transient species in the photolysis of sulphur monochloride, including S2(a 1? g )., Trans. Faraday Soc., 1968, 64, 1798, https://doi.org/10.1039/tf9686401798 . [all data]

Asundi, 1965
Asundi, R.K., Quantum characterization of electronic levels in molecules, J. Chem. Phys., 1965, 43, 24. [all data]

Narasimham and Gopal, 1965
Narasimham, N.A.; Gopal, K.S., On Rosen-Desirant ultra-violet bands of sulphur, Curr. Sci., 1965, 34, 454. [all data]

Rosen and Desirant, 1935
Rosen, B.; Desirant, M., Note au sujet de quelques nouveaux systemes de bandes observes dans les vapeurs de soufre et de selenium, Bull. Soc. R. Sci. Liege, 1935, 4, 233. [all data]

Haranath, 1963
Haranath, P.B.V., A new emission band spectrum of sulphur, Z. Phys., 1963, 173, 428. [all data]

Narasimham and Brody, 1964
Narasimham, N.A.; Brody, J.K., On the fine structure of the ultraviolet bands of S₂, Proc. Indian Acad. Sci. Sect. A, 1964, 59, 345. [all data]

Narasimham and Bhagvat, 1965
Narasimham, N.A.; Bhagvat, K.M.N., Vibrational analysis of 2620 Å and 2760 Å bands of ³²S³⁴S, Proc. Indian Acad. Sci. Sect. A, 1965, 61, 75. [all data]

Meyer and Crosley, 1973
Meyer, K.A.; Crosley, D.R., Rotational satellite intensities and triplet splitting in the B³Σ_u^- state of S₂, Can. J. Phys., 1973, 51, 2119. [all data]

Ricks and Barrow, 1969, 2
Ricks, J.M.; Barrow, R.F., The dissociation energy of gaseous diatomic sulfur, Can. J. Phys., 1969, 47, 2423. [all data]

Asundi, 1931
Asundi, R.K., The emission bands of sulphur, Nature (London), 1931, 127, 93. [all data]

Asundi, 1934
Asundi, R.K., Additional bands in the band system of sulphur, Curr. Sci., 1934, 3, 154. [all data]

Sugden and Demerdache, 1962
Sugden, T.M.; Demerdache, A., Emission spectra of sulphur, Nature (London), 1962, 195, 596. [all data]

Herzberg and Mundie, 1940
Herzberg, G.; Mundie, L.G., On the predissociation of several diatomic molecules, J. Chem. Phys., 1940, 8, 263. [all data]

Kondratjew and Olsson, 1936
Kondratjew, V.; Olsson, E., Die induzierte pradissoziation im absorptionsspektrum des schwefels, Z. Phys., 1936, 99, 671. [all data]

Herman and Felenbok, 1963
Herman, L.; Felenbok, P., Effet des collisions sur la predissociation de S₂, J. Quant. Spectrosc. Radiat. Transfer, 1963, 3, 247. [all data]

Smith, 1969
Smith, W.H., Absolute transition probabilities for some electronic states of CS, SO and S₂, J. Quant. Spectrosc. Radiat. Transfer, 1969, 9, 1191. [all data]

Meyer and Crosley, 1973, 2
Meyer, K.A.; Crosley, D.R., Hanle effect lifetime measurements on selectively excited diatomic sulfur, J. Chem. Phys., 1973, 59, 1933. [all data]

McGee and Weston, 1977
McGee, T.H.; Weston, R.E., Jr., Lifetime of the B³Σ_u^- state of S₂, Chem. Phys. Lett., 1977, 47, 352. [all data]

Tatum and Watson, 1971
Tatum, J.B.; Watson, J.K.G., Rotational line strengths in ³Σ^±-³Σ^± transitions with intermediate coupling, Can. J. Phys., 1971, 49, 2693. [all data]

Meyer and Crosley, 1973, 3
Meyer, K.A.; Crosley, D.R., Franck-Condon factors from selectively excited resonance fluorescence in the B-X system of S₂, J. Chem. Phys., 1973, 59, 3153. [all data]

Smith and Liszt, 1971
Smith, W.H.; Liszt, H.S., Franck-Condon factors and absolute oscillator strengths for NH, SiH, S₂ and SO, J. Quant. Spectrosc. Radiat. Transfer, 1971, 11, 45. [all data]

Chaudhry, Upadhya, et al., 1970
Chaudhry, A.K.; Upadhya, K.N.; Nair, K.P.R., Isotope shift in the bands of B³Σ_u - X³Σ_g system of S₂ molecule, Indian J. Pure Appl. Phys., 1970, 8, 52. [all data]

Brewer, Brabson, et al., 1965
Brewer, L.; Brabson, G.D.; Meyer, B., UV absorption spectrum of trapped S₂, J. Chem. Phys., 1965, 42, 1385. [all data]

Narasimham, Apparao, et al., 1976
Narasimham, N.A.; Apparao, K.V.S.R.; Balasubramanian, T.K., Near-infrared bands of S₂: ³Π_gi-³Σ_u⁺ system, J. Mol. Spectrosc., 1976, 59, 244. [all data]

Barrow and Yee, 1974
Barrow, R.F.; Yee, K.K., The ³Σ^- ground states of the group VI-VI molecules, O₂, SO ..... Te₂, Acta Phys. Acad. Sci. Hung., 1974, 35, 239. [all data]

Barrow and Ketteringham, 1963
Barrow, R.F.; Ketteringham, J.M., Triplet splitting in the ground state, X³Σ_g^-, of S₂, Can. J. Phys., 1963, 41, 419. [all data]

Budininkas, Edwards, et al., 1968
Budininkas, P.; Edwards, R.K.; Wahlbeck, P.G., Dissociation energies of group VIa gaseous homonuclear diatomic molecules. I. Sulfur, J. Chem. Phys., 1968, 48, 2859. [all data]

Drowart and Goldfinger, 1966
Drowart, J.; Goldfinger, P., The dissociation energies of the group VIA diatomic molecules, Q. Rev. Chem. Soc., 1966, 20, 545. [all data]

Barletta, Claassen, et al., 1971
Barletta, R.E.; Claassen, H.H.; McBeth, R.L., Raman spectrum of S₂, J. Chem. Phys., 1971, 55, 5409. [all data]

Hopkins and Brown, 1975
Hopkins, A.G.; Brown, C.W., Additional evidence for the Raman band of S₂, J. Chem. Phys., 1975, 62, 1598. [all data]

Notes

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Constants of diatomic molecules, References

• Symbols used in this document:
  

  AE	Appearance energy
  EA	Electron affinity
  IE (evaluated)	Recommended ionization energy
  S°gas,1 bar	Entropy of gas at standard conditions (1 bar)
  ΔfH°gas	Enthalpy of formation of gas at standard conditions
  ΔrG°	Free energy of reaction at standard conditions
  ΔrH°	Enthalpy of reaction at standard conditions

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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