Sulfur chloride

Formula: ClS₂
Molecular weight: 99.583
IUPAC Standard InChI: InChI=1S/ClS2/c1-3-2
IUPAC Standard InChIKey: ASGYIKBYZKQKJC-UHFFFAOYSA-N
CAS Registry Number: 39594-91-7
Chemical structure:
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Gas phase thermochemistry data

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Quantity	Value	Units	Method	Reference	Comment
Δ_fH°_gas	18.78	kcal/mol	Review	Chase, 1998	Data last reviewed in June, 1978
Quantity	Value	Units	Method	Reference	Comment
S°_{gas,1 bar}	69.708	cal/mol*K	Review	Chase, 1998	Data last reviewed in June, 1978

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. - 6000.
A	13.67200
B	0.237518
C	-0.084529
D	0.010844
E	-0.141373
F	14.21590
G	85.39039
H	18.77610
Reference	Chase, 1998
Comment	Data last reviewed in June, 1978

Vibrational and/or electronic energy levels

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Data compiled by: Marilyn E. Jacox

State: B

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


T_o = 21650		gas	378	481	McGrath, 1960
					Donovan, Husain, et al., 1968
					Chiu, Pan, et al., 1986
T_o = 21925	U	Ar	389	456	Wight and Andrews, 1978

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


a'	1	Stretch	480	gas	AB	Chiu, Pan, et al., 1986
	1	Stretch	491 ± 20	Ar	AB	Wight and Andrews, 1978
	3	Stretch	407	gas	AB	Chiu, Pan, et al., 1986

State: A

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


a'	1	SS stretch	630	gas	LF	Chiu and Chang, 1994 Chang, 1995
	2	Bend	249	gas	LF	Chiu and Chang, 1994 Chang, 1995
	3	SCl stretch	554	gas	LF	Chiu and Chang, 1994 Chang, 1995

State: X

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


a'	1	SS stretch	662 ± 3	gas	AB LF	Chiu, Pan, et al., 1986 Chiu and Chang, 1994 Chang, 1995
	1	SS stretch	665	Ar	IR	Vahl and Feuerhahn, 1979
	2	Bend	196	gas	Ra LF	Chiu and Chang, 1994 Chang, 1995
	3	SCl stretch	450	gas	Ra LF	Chiu and Chang, 1994 Chang, 1995
	3	SCl stretch	404	Ar	IR	Vahl and Feuerhahn, 1979

Additional references: Jacox, 1994, page 111; Jacox, 1998, page 205; Fujitake and Hirota, 1994

Notes

Upper bound

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]

McGrath, 1960
McGrath, W.D., The Production of Vibrationally Excited S2 in the Isothermal Flash Photolysis of S2Cl2, J. Chem. Phys., 1960, 33, 1, 297, https://doi.org/10.1063/1.1731104 . [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]

Chiu, Pan, et al., 1986
Chiu, C.L.; Pan, S.C.; Ni, C.K., Recognition of the violet system of S2Cl in the pyrolysis of S2Cl2, J. Chem. Phys., 1986, 85, 1, 10, https://doi.org/10.1063/1.451648 . [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]

Chiu and Chang, 1994
Chiu, C.-L.; Chang, H., Spectrochim. Acta, 1994, 50A, 2239. [all data]

Chang, 1995
Chang, C.L. ChiuadnH., J. Chin. Chem. Soc. (Taipei), 1995, 42, 19. [all data]

Vahl and Feuerhahn, 1979
Vahl, G.; Feuerhahn, M., J. Chem. Res., 1979, Synop., 237. [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]

Fujitake and Hirota, 1994
Fujitake, M.; Hirota, E., The microwave spectrum of the ClS, Can. J. Phys., 1994, 72, 11-12, 1043, https://doi.org/10.1139/p94-136 . [all data]

Notes

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Symbols used in this document:

S°_{gas,1 bar} Entropy of gas at standard conditions (1 bar)

Δ_fH°_gas Enthalpy of formation of gas at standard conditions
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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S°_{gas,1 bar}	Entropy of gas at standard conditions (1 bar)
Δ_fH°_gas	Enthalpy of formation of gas at standard conditions