Sulfur trimer

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Gas phase thermochemistry data

Go To: Top, Gas phase ion energetics data, Vibrational and/or electronic energy levels, References, Notes

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
gas,1 bar64.417cal/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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Temperature (K) 298. to 6000.
A 12.85390
B 1.040050
C -6.809370×10-7
D -0.000001
E -0.155398
F -4.399812
G 78.78740
H 0.000000
ReferenceChase, 1998
Comment Data last reviewed in September, 1977

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Vibrational and/or electronic energy levels, 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:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
B - John E. Bartmess

View reactions leading to S3+ (ion structure unspecified)

Electron affinity determinations

EA (eV) Method Reference Comment
2.093 ± 0.025LPESNimlos and Ellison, 1986B
2.31 ± 0.10LPDHunsicker, Jones, et al., 1995Vertical Detachment Energy: 2.50 eV; B
2.00 ± 0.15PDFeldman, Rackwitz, et al., 1977B

Ionization energy determinations

IE (eV) Method Reference Comment
10.2 ± 0.2EIRosinger, Grade, et al., 1983LBLHLM
9.9 ± 0.4EIDrowart, Goldfinger, et al., 1968RDSH
9.68 ± 0.03PIBerkowitz and Lifshitz, 1968RDSH

Vibrational and/or electronic energy levels

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics 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: Marilyn E. Jacox

State:   ?


 Energy 
 (cm-1
 Med.   Transition   λmin 
 (nm) 
 λmax 
 (nm) 
 References

To = 23465 ± 15 gas 350 510 Meyer, Oommen, et al., 1971
Meyer, Stroyer-Hansen, et al., 1972
Lenain, Picquenard, et al., 1986
Billmers and Smith, 1991

State:   ?


 Energy 
 (cm-1
 Med.   Transition   λmin 
 (nm) 
 λmax 
 (nm) 
 References

To = 23210 Ar 355 435 Wight and Andrews, 1978
Brabson, Mielke, et al., 1991
Hassanzadeh and Andrews, 1992

State:   ?


 Energy 
 (cm-1
 Med.   Transition   λmin 
 (nm) 
 λmax 
 (nm) 
 References

Kr 310 420 Meyer, Oommen, et al., 1971
Meyer, Stroyer-Hansen, et al., 1972

State:   A?


Vib. 
sym. 
 No.   Approximate 
 type of mode 
 cm-1   Med.   Method   References

a1 1 Sym. stretch 420 gas AB Meyer, Stroyer-Hansen, et al., 1972
1 Sym. stretch 450 T Ar AB Wight and Andrews, 1978
Hassanzadeh and Andrews, 1992
1 Sym. stretch 420 Kr AB Meyer, Stroyer-Hansen, et al., 1972
2 Bend 340 T Ar AB Hassanzadeh and Andrews, 1992

State:   X


Vib. 
sym. 
 No.   Approximate 
 type of mode 
 cm-1   Med.   Method   References

a1 1 Sym. stretch 590 gas AB Meyer, Stroyer-Hansen, et al., 1972
1 Sym. stretch 581 gas Ra Picquenard, El Jaroudi, et al., 1993
1 Sym. stretch 583 Ar Ra Tang and Brown, 1975
Brabson, Mielke, et al., 1991
2 Bend 281 gas Ra Picquenard, El Jaroudi, et al., 1993
b2 3 Asym. stretch 680.0 Ar IR Brabson, Mielke, et al., 1991
Hassanzadeh and Andrews, 1992
3 Asym. stretch 676.2 Ar IR Brabson, Mielke, et al., 1991
Hassanzadeh and Andrews, 1992
3 Asym. stretch 674.5 Ar IR Brabson, Mielke, et al., 1991
Hassanzadeh and Andrews, 1992

Additional references: Jacox, 1994, page 105; Jacox, 1998, page 200; McCarthy, Thorwirth, et al., 2004; Thorwirth, McCarthy, et al., 2005

Notes

TTentative assignment or approximate value
oEnergy separation between the v = 0 levels of the excited and electronic ground states.

References

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, Notes

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

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

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]

Feldman, Rackwitz, et al., 1977
Feldman, D.; Rackwitz, R.; Kaiser, H.J.; Heincke, E., Photodetachment bei einigen neagtiven molekulionen: P2-, As2-, CH2-, CH3-, S3-, Z. Naturforsch. A:, 1977, 32, 600. [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]

Drowart, Goldfinger, et al., 1968
Drowart, J.; Goldfinger, P.; Detry, D.; Rickert, H.; Keller, H., Mass spectrometric study of the equilibria in sulphur vapour generated by an electrochemical knudsen cell, Advan. Mass Spectrom., 1968, 4, 499. [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]

Meyer, Oommen, et al., 1971
Meyer, B.; Oommen, T.V.; Jensen, D., Color of liquid sulfur, J. Phys. Chem., 1971, 75, 7, 912, https://doi.org/10.1021/j100677a012 . [all data]

Meyer, Stroyer-Hansen, et al., 1972
Meyer, B.; Stroyer-Hansen, T.; Oommen, T.V., The visible spectrum of S3 and S4, J. Mol. Spectrosc., 1972, 42, 2, 335, https://doi.org/10.1016/0022-2852(72)90089-6 . [all data]

Lenain, Picquenard, et al., 1986
Lenain, P.; Picquenard, E.; Lesne, J.L.; Corset, J., Raman spectra of overheated sulfur vapor, J. Mol. Struct., 1986, 142, 355, https://doi.org/10.1016/0022-2860(86)85132-8 . [all data]

Billmers and Smith, 1991
Billmers, R.I.; Smith, A.L., Ultraviolet-visible absorption spectra of equilibrium sulfur vapor: molar absorptivity spectra of S3 and S4, J. Phys. Chem., 1991, 95, 11, 4242, https://doi.org/10.1021/j100164a015 . [all data]

Wight and Andrews, 1978
Wight, C.A.; Andrews, L., Matrix reactions of dichlorodisulfane with alkali metals, J. Mol. Spectrosc., 1978, 72, 3, 342, https://doi.org/10.1016/0022-2852(78)90134-0 . [all data]

Brabson, Mielke, et al., 1991
Brabson, G.D.; Mielke, Z.; Andrews, L., Infrared spectra and structures of isotopically enriched sulfur (S3 and S4) in solid argon, J. Phys. Chem., 1991, 95, 1, 79, https://doi.org/10.1021/j100154a019 . [all data]

Hassanzadeh and Andrews, 1992
Hassanzadeh, P.; Andrews, L., Vibronic absorption spectra of sulfur (S3 and S4) in solid argon, J. Phys. Chem., 1992, 96, 16, 6579, https://doi.org/10.1021/j100195a015 . [all data]

Picquenard, El Jaroudi, et al., 1993
Picquenard, E.; El Jaroudi, O.; Corset, J., Resonance Raman spectra of the S3 molecule in sulphur vapour, J. Raman Spectrosc., 1993, 24, 1, 11, https://doi.org/10.1002/jrs.1250240103 . [all data]

Tang and Brown, 1975
Tang, S.-Y.; Brown, C.W., Raman spectrum of matrix-isolated disulfur monoxide. Evidence for the formation of trisulfur and sulfurdioxide from disulfur monoxide, Inorg. Chem., 1975, 14, 11, 2856, https://doi.org/10.1021/ic50153a055 . [all data]

Jacox, 1994
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules, American Chemical Society, Washington, DC, 1994, 464. [all data]

Jacox, 1998
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules: supplement A, J. Phys. Chem. Ref. Data, 1998, 27, 2, 115-393, https://doi.org/10.1063/1.556017 . [all data]

McCarthy, Thorwirth, et al., 2004
McCarthy, M.C.; Thorwirth, S.; Gottlieb, C.A.; Thaddeus, P., The Rotational Spectrum and Geometrical Structure of Thiozone, S, J. Am. Chem. Soc., 2004, 126, 13, 4096, https://doi.org/10.1021/ja049645f . [all data]

Thorwirth, McCarthy, et al., 2005
Thorwirth, S.; McCarthy, M.C.; Gottlieb, C.A.; Thaddeus, P.; Gupta, H.; Stanton, J.F., Rotational spectroscopy and equilibrium structures of S[sub 3] and S[sub 4], J. Chem. Phys., 2005, 123, 5, 054326, https://doi.org/10.1063/1.1942495 . [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, References