Mercaptomethyl radical
- Formula: CH3S
- Molecular weight: 47.100
- IUPAC Standard InChIKey: YYOGAOHWUDJBLM-UHFFFAOYSA-N
- CAS Registry Number: 17032-46-1
- Chemical structure:
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Gas phase ion energetics 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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
Data compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
B - John E. Bartmess
View reactions leading to CH3S+ (ion structure unspecified)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Proton affinity (review) | 175.4 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 167.7 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Electron affinity determinations
EA (eV) | Method | Reference | Comment |
---|---|---|---|
0.78 ± 0.33 | IMRB | Kass, Guo, et al., 1990 | Between O2 and SO2. Explains bad anchor in McIver Jr. and Fukuda, 1982; B |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
7.536 ± 0.003 | PI | Ruscic and Berkowitz, 1992 | LL |
Vibrational and/or electronic energy levels
Go To: Top, Gas phase ion energetics 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 | ||
---|---|---|---|---|---|---|---|
Tx = 38500 | T | gas | 250 | 300 | Anastasi, Broomfield, et al., 1991 | ||
State: X
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
H2CS umbrella | 425 | s | Ar | IR | Jacox and Milligan, 1975 Jacox, 1983 | ||
Additional references: Jacox, 1994, page 238
Notes
s | Strong |
T | Tentative assignment or approximate value |
x | Energy separation between the band maximum of the excited electronic state and the v = 0 level of the ground state. |
References
Go To: Top, Gas phase ion energetics 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.
Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G.,
Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update,
J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018
. [all data]
Kass, Guo, et al., 1990
Kass, S.R.; Guo, H.-Z.; Dahlke, G.D.,
The Thiomethyl Anion: Formation, Reactivity, and Thermodynamic Properties,
J. Am. Soc. Mass Spectrom., 1990, 1, 5, 366, https://doi.org/10.1016/1044-0305(90)85016-F
. [all data]
McIver Jr. and Fukuda, 1982
McIver Jr.; Fukuda, E.K.,
Equilibrium Electron Affinities,
Lec. Notes in Chem., 1982, 31, 165. [all data]
Ruscic and Berkowitz, 1992
Ruscic, B.; Berkowitz, J.,
Photoionization mass spectrometric studies of the isomeric transient species CH2SH and CH3S,
J. Chem. Phys., 1992, 97, 1818. [all data]
Anastasi, Broomfield, et al., 1991
Anastasi, C.; Broomfield, M.; Nielsen, O.J.; Pagsberg, P.,
Ultraviolet absorption spectra and kinetics of CH3S and CH2SH radicals,
Chem. Phys. Lett., 1991, 182, 6, 643, https://doi.org/10.1016/0009-2614(91)90139-Z
. [all data]
Jacox and Milligan, 1975
Jacox, M.E.; Milligan, D.E.,
Matrix isolation study of the infrared spectrum of thioformaldehyde,
J. Mol. Spectrosc., 1975, 58, 1, 142, https://doi.org/10.1016/0022-2852(75)90162-9
. [all data]
Jacox, 1983
Jacox, M.E.,
The reaction of F atoms with CH,
Can. J. Chem., 1983, 61, 5, 1036, https://doi.org/10.1139/v83-182
. [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]
Notes
Go To: Top, Gas phase ion energetics data, Vibrational and/or electronic energy levels, References
- Symbols used in this document:
EA Electron affinity - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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