Sulfur trimer

Formula: S₃
Molecular weight: 96.195
CAS Registry Number: 12597-03-4
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Gas phase thermochemistry data

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Quantity	Value	Units	Method	Reference	Comment
S°_{gas,1 bar}	64.417	cal/mol*K	Review	Chase, 1998	Data last reviewed in September, 1977

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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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
Reference	Chase, 1998
Comment	Data last reviewed in September, 1977

Gas phase ion energetics data

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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 ± 0.025	LPES	Nimlos and Ellison, 1986	B
2.31 ± 0.10	LPD	Hunsicker, Jones, et al., 1995	Vertical Detachment Energy: 2.50 eV; B
2.00 ± 0.15	PD	Feldman, Rackwitz, et al., 1977	B

Ionization energy determinations

IE (eV)	Method	Reference	Comment
10.2 ± 0.2	EI	Rosinger, Grade, et al., 1983	LBLHLM
9.9 ± 0.4	EI	Drowart, Goldfinger, et al., 1968	RDSH
9.68 ± 0.03	PI	Berkowitz and Lifshitz, 1968	RDSH

Vibrational and/or electronic energy levels

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Data compiled by: Marilyn E. Jacox

State: ?

Energy (cm^-1)	Med.	λ_min (nm)	λ_max (nm)	References


T_o = 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.	λ_min (nm)	λ_max (nm)	References


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

State: ?

Med.	λ_min (nm)	λ_max (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

Tentative assignment or approximate value

Energy separation between the v = 0 levels of the excited and electronic ground states.

References

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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

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Symbols used in this document:

EA Electron affinity

S°_{gas,1 bar} Entropy of gas at standard conditions (1 bar)
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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EA	Electron affinity
S°_{gas,1 bar}	Entropy of gas at standard conditions (1 bar)