MeS anion
- Formula: CH3S-
- Molecular weight: 47.100
- IUPAC Standard InChI: InChI=1S/CH4S/c1-2/h2H,1H3/p-1
- IUPAC Standard InChIKey: LSDPWZHWYPCBBB-UHFFFAOYSA-M
- CAS Registry Number: 17302-63-5
- Chemical structure:
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Reaction thermochemistry data
Go To: Top, 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 |
( • 2
) +
= (
• 3
)
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 |
( • 3
) +
= (
• 4
)
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 |
( •
) +
= (
• 2
)
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 |
( • 4294967295
) +
=
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 |
Vibrational and/or electronic energy levels
Go To: Top, Reaction thermochemistry 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, 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, 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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