MeS anion
- Formula: CH3S-
- Molecular weight: 47.100
- IUPAC Standard InChIKey: LSDPWZHWYPCBBB-UHFFFAOYSA-M
- CAS Registry Number: 17302-63-5
- Chemical structure:
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Reaction thermochemistry data
Go To: Top, Gas phase ion energetics data, Ion clustering 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:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
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
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 357.6 ± 2.0 | kcal/mol | D-EA | Schwartz, Davico, et al., 2000 | gas phase; B |
ΔrH° | 357.5 ± 2.0 | kcal/mol | D-EA | Moran and Ellison, 1988 | gas phase; B |
ΔrH° | 356.9 ± 2.2 | kcal/mol | G+TS | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 350.6 ± 2.0 | kcal/mol | IMRE | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale; B |
By formula: CH3S- + H2O = (CH3S- • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.00 ± 0.20 | kcal/mol | TDAs | Sieck and Meot-ner, 1989 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.2 | cal/mol*K | PHPMS | Sieck and Meot-ner, 1989 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 8.70 ± 0.70 | kcal/mol | TDAs | Sieck and Meot-ner, 1989 | gas phase; B |
By formula: CH3S- + C3H8O = (CH3S- • C3H8O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17.10 ± 0.20 | kcal/mol | TDAs | Sieck and Meot-ner, 1989 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.1 | cal/mol*K | PHPMS | Sieck and Meot-ner, 1989 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 10.20 ± 0.80 | kcal/mol | TDAs | Sieck and Meot-ner, 1989 | gas phase; B |
By formula: (CH3S- • 2H2O) + H2O = (CH3S- • 3H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.1 | kcal/mol | PHPMS | Sieck and Meot-ner, 1989 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.5 | cal/mol*K | PHPMS | Sieck and Meot-ner, 1989 | gas phase; M |
By formula: (CH3S- • 3H2O) + H2O = (CH3S- • 4H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.6 | kcal/mol | PHPMS | Sieck and Meot-ner, 1989 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.2 | cal/mol*K | PHPMS | Sieck and Meot-ner, 1989 | gas phase; M |
By formula: (CH3S- • H2O) + H2O = (CH3S- • 2H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.5 | kcal/mol | PHPMS | Sieck and Meot-ner, 1989 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.5 | cal/mol*K | PHPMS | Sieck and Meot-ner, 1989 | gas phase; M |
By formula: (CH3S- • 4294967295CH2S) + CH2S = CH3S-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 73.0 ± 3.8 | kcal/mol | N/A | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale; B |
Gas phase ion energetics data
Go To: Top, Reaction thermochemistry data, Ion clustering 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 by: John E. Bartmess
Protonation reactions
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 357.6 ± 2.0 | kcal/mol | D-EA | Schwartz, Davico, et al., 2000 | gas phase |
ΔrH° | 357.5 ± 2.0 | kcal/mol | D-EA | Moran and Ellison, 1988 | gas phase |
ΔrH° | 356.9 ± 2.2 | kcal/mol | G+TS | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 350.6 ± 2.0 | kcal/mol | IMRE | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale |
Ion clustering data
Go To: Top, Reaction thermochemistry data, 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.
Data compiled as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
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
By formula: (CH3S- • 4294967295CH2S) + CH2S = CH3S-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 73.0 ± 3.8 | kcal/mol | N/A | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale; B |
By formula: CH3S- + C3H8O = (CH3S- • C3H8O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17.10 ± 0.20 | kcal/mol | TDAs | Sieck and Meot-ner, 1989 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.1 | cal/mol*K | PHPMS | Sieck and Meot-ner, 1989 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 10.20 ± 0.80 | kcal/mol | TDAs | Sieck and Meot-ner, 1989 | gas phase; B |
By formula: CH3S- + H2O = (CH3S- • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.00 ± 0.20 | kcal/mol | TDAs | Sieck and Meot-ner, 1989 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.2 | cal/mol*K | PHPMS | Sieck and Meot-ner, 1989 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 8.70 ± 0.70 | kcal/mol | TDAs | Sieck and Meot-ner, 1989 | gas phase; B |
By formula: (CH3S- • H2O) + H2O = (CH3S- • 2H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.5 | kcal/mol | PHPMS | Sieck and Meot-ner, 1989 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.5 | cal/mol*K | PHPMS | Sieck and Meot-ner, 1989 | gas phase; M |
By formula: (CH3S- • 2H2O) + H2O = (CH3S- • 3H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.1 | kcal/mol | PHPMS | Sieck and Meot-ner, 1989 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.5 | cal/mol*K | PHPMS | Sieck and Meot-ner, 1989 | gas phase; M |
By formula: (CH3S- • 3H2O) + H2O = (CH3S- • 4H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.6 | kcal/mol | PHPMS | Sieck and Meot-ner, 1989 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.2 | cal/mol*K | PHPMS | Sieck and Meot-ner, 1989 | gas phase; M |
Vibrational and/or electronic energy levels
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering 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 | ||
---|---|---|---|---|---|---|---|
Td = 15060 ± 30 | gas | Engleking, Ellison, et al., 1978 | |||||
Janousek and Brauman, 1980 | |||||||
Moran and Ellison, 1988 | |||||||
Schwartz, Davico, et al., 2000, 2 | |||||||
State: X
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
a1 | 3 | CS stretch | 410 ± 30 | gas | PE | Schwartz, Davico, et al., 2000, 2 | |
Additional references: Jacox, 1994, page 242; Jacox, 2003, page 261
Notes
d | Photodissociation threshold |
References
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering 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.
Schwartz, Davico, et al., 2000
Schwartz, R.L.; Davico, G.E.; Lineberger, W.C.,
Negative-ion photoelectron spectroscopy of CH3S-,
J. Electron Spectros. Rel. Phenom., 2000, 108, 1-3, 163-168, https://doi.org/10.1016/S0368-2048(00)00125-0
. [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]
Bartmess, Scott, et al., 1979
Bartmess, J.E.; Scott, J.A.; McIver, R.T., Jr.,
The gas phase acidity scale from methanol to phenol,
J. Am. Chem. Soc., 1979, 101, 6047. [all data]
Sieck and Meot-ner, 1989
Sieck, L.W.; Meot-ner, M.,
Ionic Hydrogen Bond and Ion Solvation. 8. RS-..HOR Bond Strengths. Correlation with Acidities.,
J. Phys. Chem., 1989, 93, 4, 1586, https://doi.org/10.1021/j100341a079
. [all data]
Engleking, Ellison, et al., 1978
Engleking, P.C.; Ellison, G.B.; Lineberger, W.C.,
Laser photodetachment electron spectrometry of methoxide, deuteromethoxide, and thiomethoxide: Electron affinities and vibrational structure of CH3O, and CH3S,
J. Chem. Phys., 1978, 69, 1826. [all data]
Janousek and Brauman, 1980
Janousek, B.K.; Brauman, J.I.,
Electron photodetachment of thiomethoxyl and deuterothiomethoxyl anions: Electron affinities, vibrational frequencies, and spin-orbit splitting in CH3S- and CD3S-,
J. Chem. Phys., 1980, 72, 694. [all data]
Schwartz, Davico, et al., 2000, 2
Schwartz, R.L.; Davico, G.E.; Lineberger, W.C.,
Negative-ion photoelectron spectroscopy of CH3S-,
J. Electron Spectrosc. Relat. Phenom., 2000, 108, 1-3, 163, https://doi.org/10.1016/S0368-2048(00)00125-0
. [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, 2003
Jacox, M.E.,
Vibrational and electronic energy levels of polyatomic transient molecules: supplement B,
J. Phys. Chem. Ref. Data, 2003, 32, 1, 1-441, https://doi.org/10.1063/1.1497629
. [all data]
Notes
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Vibrational and/or electronic energy levels, References
- Symbols used in this document:
ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔrS° Entropy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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