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Sulfur dichloride

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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
Deltafgas-17.57kJ/molReviewChase, 1998Data last reviewed in June, 1978
Quantity Value Units Method Reference Comment
gas,1 bar281.60J/mol*KReviewChase, 1998Data last reviewed in June, 1978

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 (J/mol*K)
    H° = standard enthalpy (kJ/mol)
    S° = standard entropy (J/mol*K)
    t = temperature (K) / 1000.

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Temperature (K) 800. - 6000.
A 57.21411
B 0.943120
C -0.307046
D 0.034359
E -0.596605
F -36.67096
G 347.2134
H -17.57301
ReferenceChase, 1998
Comment Data last reviewed in June, 1978

Condensed 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
Deltafliquid-49.79kJ/molReviewChase, 1998Data last reviewed in June, 1978
Quantity Value Units Method Reference Comment
liquid,1 bar183.68J/mol*KReviewChase, 1998Data last reviewed in June, 1978

Liquid 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 (J/mol*K)
    H° = standard enthalpy (kJ/mol)
    S° = standard entropy (J/mol*K)
    t = temperature (K) / 1000.

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Temperature (K) 298. - 800.
A 91.00200
B -0.000001
C 0.000002
D -9.046310×10-7
E -6.887493×10-9
F -76.92242
G 293.8047
H -49.79002
ReferenceChase, 1998
Comment Data last reviewed in June, 1978

Phase change 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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Kenneth Kroenlein director
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tfus424.KN/AWhiting, 1952Uncertainty assigned by TRC = 3. K; TRC

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Reference Comment
43.8280.Dykyj, Svoboda, et al., 1999Based on data from 265. - 348. K.; AC

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


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 by: John E. Bartmess

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

Chlorine anion + Sulfur dichloride = Cl3S-

By formula: Cl- + Cl2S = Cl3S-

Quantity Value Units Method Reference Comment
Deltar84.9 ± 7.9kJ/molCIDTGailbreath, Pommerening, et al., 2000gas phase

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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Quantity Value Units Method Reference Comment
IE (evaluated)9.47 ± 0.03eVN/AN/AL

Ionization energy determinations

IE (eV) Method Reference Comment
9.45 ± 0.03PIKaufel, Vahl, et al., 1981LLK
9.49PEColton and Rabalais, 1974LLK
9.67PESolouki, Rosmus, et al., 1974Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
ClS+12.04 ± 0.05ClPIKaufel, Vahl, et al., 1981LLK
SCl+12.2 ± 0.1ClEIHartmann, Lebert, et al., 1974LLK
S+13.0 ± 0.2?EIHartmann, Lebert, et al., 1974LLK

Ion clustering 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 by: John E. Bartmess

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

Chlorine anion + Sulfur dichloride = Cl3S-

By formula: Cl- + Cl2S = Cl3S-

Quantity Value Units Method Reference Comment
Deltar84.9 ± 7.9kJ/molCIDTGailbreath, Pommerening, et al., 2000gas phase

Mass spectrum (electron ionization)

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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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Mass spectrum
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Additional Data

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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
NIST MS number 1237

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Vibrational and/or electronic energy levels

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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 by: Takehiko Shimanouchi

Symmetry:   C2nu     Symmetry Number sigma = 2


 Sym.   No   Approximate   Selected Freq.  Infrared   Raman   Comments 
 Species   type of mode   Value   Rating   Value  Phase  Value  Phase

a1 1 Sym str 525  D 525 VS gas 514 p liq.
a1 2 Bend 208  B 208 p liq.
b1 3 Anti str 535  D 535 liq.

Source: Shimanouchi, 1972

Notes

VSVery strong
pPolarized
B1~3 cm-1 uncertainty
D6~15 cm-1 uncertainty

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, NIST Free Links, 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]

Whiting, 1952
Whiting, G.H., Freezing and MElting of Some Sulfur Chlorides, J. Appl. Chem., 1952, 2, 390. [all data]

Dykyj, Svoboda, et al., 1999
Dykyj, J.; Svoboda, J.; Wilhoit, R.C.; Frenkel, M.L.; Hall, K.R., Vapor Pressure of Chemicals: Part A. Vapor Pressure and Antoine Constants for Hydrocarbons and Sulfur, Selenium, Tellurium and Hydrogen Containing Organic Compounds, Springer, Berlin, 1999, 373. [all data]

Gailbreath, Pommerening, et al., 2000
Gailbreath, B.D.; Pommerening, C.A.; Bachrach, S.M.; Sunderlin, L.S., Potential Energy Surface of SCl3-, J. Phys. Chem., 2000, 104, 13, 2958, https://doi.org/10.1021/jp993671w . [all data]

Kaufel, Vahl, et al., 1981
Kaufel, R.; Vahl, G.; Minkwitz, R.; Baumgartel, H., Die photoionenspektren von SCl2, S2Cl2 und S2Br2, Z. Anorg. Allg. Chem., 1981, 481, 207. [all data]

Colton and Rabalais, 1974
Colton, R.J.; Rabalais, J.W., Photoelectron electronic absorption spectra of SCl2, S2Cl2, S2Br2 and (CH3)2S2, J. Electron Spectrosc. Relat. Phenom., 1974, 3, 345. [all data]

Solouki, Rosmus, et al., 1974
Solouki, B.; Rosmus, P.; Bock, H., Photoelectron spectra and molecular properties. SCl2-ionization potentials and ab initio SCF calculations, Chem. Phys. Lett., 1974, 26, 20. [all data]

Hartmann, Lebert, et al., 1974
Hartmann, O.-R.; Lebert, K.-H.; Chun, H.-U., Elektronenstoss- und ionenstossuntersuchungen an schwefeldichlorid und dischwefeldichlorid, Z. Phys. Chem. (Frankfurt/Main), 1974, 92, 311. [all data]

Shimanouchi, 1972
Shimanouchi, T., Tables of Molecular Vibrational Frequencies Consolidated Volume II, J. Phys. Chem. Ref. Data, 1972, 6, 3, 993-1102. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, NIST Free Links, References