Sulfur dimer

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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.

Quantity Value Units Method Reference Comment
Δfgas30.736 ± 0.072kcal/molReviewCox, Wagman, et al., 1984CODATA Review value
Δfgas30.736kcal/molReviewChase, 1998Data last reviewed in September, 1977
Quantity Value Units Method Reference Comment
gas,1 bar54.5332 ± 0.0024cal/mol*KReviewCox, Wagman, et al., 1984CODATA Review value
gas,1 bar54.539cal/mol*KReviewChase, 1998Data last reviewed in September, 1977

Gas Phase Heat Capacity (Shomate Equation)

Cp° = 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
    Cp = heat capacity (cal/mol*K)
    H° = standard enthalpy (kcal/mol)
    S° = standard entropy (cal/mol*K)
    t = temperature (K) / 1000.

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View table.

Temperature (K) 298. to 6000.
A 8.009831
B 1.210651
C -0.253267
D 0.021488
E -0.050648
F 28.12751
G 63.59749
H 30.73621
ReferenceChase, 1998
Comment Data last reviewed in September, 1977

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, References, Notes

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)

Quantity Value Units Method Reference Comment
IE (evaluated)9.356 ± 0.002eVN/AN/AL

Electron affinity determinations

EA (eV) Method Reference Comment
1.670 ± 0.015LPESMoran and Ellison, 1988B
1.663 ± 0.040LPESCelotta, Bennett, et al., 1974B
1.565 ± 0.050LPDHunsicker, Jones, et al., 1995B
>0.86 ± 0.10R-ADillard and Franklin, 1968S- + COS -> S2- + CO. Also S2- + COS -> S3- + CO, etc. to n=6; B
>2.50 ± 0.80EIAEThynne, 1972From CS2; B

Ionization energy determinations

IE (eV) Method Reference Comment
9.4PEBender, Carnovale, et al., 1988LL
9.356 ± 0.002PILiao and Ng, 1986LBLHLM
9.6 ± 0.2EIRosinger, Grade, et al., 1983LBLHLM
9.5 ± 0.2EIGrade, Wienecke, et al., 1983LBLHLM
9.5 ± 0.3EILau, Brittain, et al., 1982LBLHLM
9.38 ± 0.03DERCoppens, Reynaert, et al., 1979LLK
9.36 ± 0.02EITal'roze, Butkovskaya, et al., 1978LLK
9.8 ± 0.3EISmoes, Drowart, et al., 1977LLK
10.1 ± 0.3EIPiacente, Bardi, et al., 1976LLK
9.4 ± 0.1EIHildenbrand, 1975LLK
9.38 ± 0.01PEGolob, Jonathan, et al., 1975LLK
9.30PEBerkowitz, 1975LLK
9.8 ± 0.5EIMuenow and Margrave, 1972LLK
9.42 ± 0.10EIHildenbrand, 1972LLK
9.40 ± 0.05SDonovan, Husain, et al., 1970RDSH
9.32SBarrow, duParcq, et al., 1969RDSH
9.36 ± 0.02PIBerkowitz and Lifshitz, 1968RDSH
9.55PEWu and Fehlner, 1976Vertical value; LLK
9.56PEBerkowitz, 1975Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
S+14.732 ± 0.005SPILiao and Ng, 1986LBLHLM
S+13.5 ± 0.5SEIPiacente, Bardi, et al., 1976LLK
S+14.74 ± 0.01SPIBerkowitz and Chupka, 1969RDSH

Anion protonation reactions

S2- + Hydrogen cation = HS2

By formula: S2- + H+ = HS2

Quantity Value Units Method Reference Comment
Δr329.9 ± 3.7kcal/molD-EAMoran and Ellison, 1988gas phase; B
Quantity Value Units Method Reference Comment
Δr>344.60kcal/molIMRBGoodings, Bohme, et al., 1986gas phase; S- deprotonates H2S, Sn- for n≥2, does not.; B

References

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, 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]

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]

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 3Σu--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]


Notes

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