CH3S
- Formula: CH3S
- Molecular weight: 47.100
- CAS Registry Number: 7175-75-9
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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 compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
B - John E. Bartmess
View reactions leading to CH3S+ (ion structure unspecified)
Electron affinity determinations
EA (eV) | Method | Reference | Comment |
---|---|---|---|
1.8670 ± 0.0040 | LPES | Schwartz, Davico, et al., 2000 | B |
1.871 ± 0.012 | LPES | Moran and Ellison, 1988 | B |
1.90 ± 0.13 | D-EA | Bartmess, Scott, et al., 1979 | value altered from reference due to change in acidity scale; B |
1.882 ± 0.022 | LPES | Engleking, Ellison, et al., 1978 | B |
1.8610 ± 0.0040 | LPD | Janousek and Brauman, 1980 | B |
1.8610 ± 0.0040 | LPD | Janousek, Reed, et al., 1980 | B |
1.36163 | SI | Page and Goode, 1969 | The Magnetron method, lacking mass analysis, is not considered reliable.; B |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
9.262 ± 0.005 | PI | Ruscic and Berkowitz, 1992 | LL |
9.225 ± 0.014 | PI | Nourbakhsh, Norwood, et al., 1991 | LL |
8.1 ± 0.3 | CIEL | Griffiths and Harris, 1987 | LBLHLM |
8.1 ± 0.1 | EI | Palmer and Lossing, 1962 | RDSH |
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: B
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
Td = 45620 | gas | Callear and Dickson, 1970 | |||||
Anastasi, Broomfield, et al., 1991 | |||||||
Bise, Choi, et al., 1999 | |||||||
State: ?
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
Td = 27324 | gas | Bise, Choi, et al., 1999 | |||||
State: A
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
To = 26396.8 | gas | A-X | 315 | 530 | Ohbayashi, Akimoto, et al., 1977 | ||
Suzuki, Inoue, et al., 1984 | |||||||
Hsu, Liu, et al., 1989 | |||||||
Chiang and Lee, 1991 | |||||||
Bise, Choi, et al., 1999 | |||||||
Liu, Matsuda, et al., 2003 | |||||||
Liu, Reid, et al., 2005 | |||||||
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
a1 | 1 | CH3 stretch (w) | 2940 | gas | MP | Liu, Reid, et al., 2005 | |
2 | CH3 umbrella | 1095.9 | gas | LF DM | Chiang and Lee, 1991 Bise, Choi, et al., 1999 Liu, Matsuda, et al., 2003 Liu, Reid, et al., 2005 | ||
3 | CS stretch | 401 ± 2 | gas | EM LF | Ohbayashi, Akimoto, et al., 1977 Suzuki, Inoue, et al., 1984 Hsu, Liu, et al., 1989 Chiang and Lee, 1991 Bise, Choi, et al., 1999 | ||
3 | CS stretch | 401 ± 2 | gas | PF DM | Liu, Matsuda, et al., 2003 Liu, Reid, et al., 2005 | ||
e | 4 | CH3 stretch | 3006 | gas | DM | Liu, Matsuda, et al., 2003 | |
6 | HCS deform. | 635 ± 10 | gas | LF | Chiang and Lee, 1991 | ||
State: X
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
a1 | 1 | CH3 stretch | 2819 ± 2 | gas | MPI | Han, Fu, et al., 2011 | |
2 | Umbrella | 1313 ± 5 | gas | PD LF | Janousek and Brauman, 1980 Suzuki, Inoue, et al., 1984 Chiang and Lee, 1991 | ||
3 | CS stretch | 727 ± 3 | gas | EM PE | Ohbayashi, Akimoto, et al., 1977 Engleking, Ellison, et al., 1978 Schwartz, Davico, et al., 2000, 2 | ||
3 | CS stretch | 727 ± 3 | gas | PD LF | Janousek and Brauman, 1980 Suzuki, Inoue, et al., 1984 Chiang and Lee, 1991 | ||
3 | CS stretch | 724.2 | p-H2 | IR | Bahou and Lee, 2010 | ||
e | 4 | CH3 stretch | 2904 ± 2 | gas | MPI | Han, Fu, et al., 2011 | |
4 | CH3 stretch(a1) | 2898.4 | p-H2 | IR | Bahou and Lee, 2010 | ||
5 | CH3 deform. | 1496 ± 6 | gas | LF | Chiang and Lee, 1991 | ||
5 | CH3 deform.(a1) | 1400.0 | p-H2 | IR | Bahou and Lee, 2010 | ||
6 | HCS deform. | 586 | T | gas | LF | Chiang and Lee, 1991 | |
6 | HCS deform. (e) | 1056.6 | p-H2 | IR | Bahou and Lee, 2010 | ||
6 | HCS deform.(a1) | 771.1 | p-H2 | IR | Bahou and Lee, 2010 | ||
Additional references: Jacox, 1994, page 237; Jacox, 1998, page 272; Jacox, 2003, page 259; Jacox, 1983; Endo, Saito, et al., 1986; Lee, Chiang, et al., 1990; Hsu and Ng, 1994; Pushkarsky, Applegate, et al., 2000
Notes
T | Tentative assignment or approximate value |
o | Energy separation between the v = 0 levels of the excited and electronic ground states. |
d | Photodissociation threshold |
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.
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]
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]
Janousek, Reed, et al., 1980
Janousek, B.K.; Reed, K.J.; Brauman, J.I.,
Electron photodetachment from mercaptyl anions (RS- electron affinities of mercaptyl radicals and the S-H bond strength in mercaptans),
J. Am. Chem. Soc., 1980, 102, 3125. [all data]
Page and Goode, 1969
Page, F.M.; Goode, G.C.,
Negative Ions and the Magnetron., Wiley, NY, 1969. [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]
Nourbakhsh, Norwood, et al., 1991
Nourbakhsh, S.; Norwood, K.; He, G.-Z.; Ng, C.Y.,
Photoionization study of supersonically cooled polyatomic radicals: Heat of formation of CH3S+,
J. Am. Chem. Soc., 1991, 113, 6311. [all data]
Griffiths and Harris, 1987
Griffiths, W.J.; Harris, F.M.,
Ionization energies of CH3O and CH3S radicals measured by charge-inversion energy-loss spectrometry,
Chem. Phys. Lett., 1987, 142, 7. [all data]
Palmer and Lossing, 1962
Palmer, T.F.; Lossing, F.P.,
Free radicals by mass spectrometry. XXVIII. The HS, CH3S, and phenyl-S radicals: ionization potentials and heats of formation,
J. Am. Chem. Soc., 1962, 84, 4661. [all data]
Callear and Dickson, 1970
Callear, A.B.; Dickson, D.R.,
Transient spectra and primary processes in the flash photolysis of CH3SSCH3, CH3SCH3, CH3SH and C2H5SH,
Trans. Faraday Soc., 1970, 66, 1987, https://doi.org/10.1039/tf9706601987
. [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]
Bise, Choi, et al., 1999
Bise, R.T.; Choi, H.; Pedersen, H.B.; Mordaunt, D.H.; Neumark, D.M.,
Photodissociation spectroscopy and dynamics of the methylthio radical (CH[sub 3]S),
J. Chem. Phys., 1999, 110, 2, 805, https://doi.org/10.1063/1.478048
. [all data]
Ohbayashi, Akimoto, et al., 1977
Ohbayashi, K.; Akimoto, H.; Tanaka, I.,
Emission spectrum of CH3S radical,
Chem. Phys. Lett., 1977, 52, 1, 47, https://doi.org/10.1016/0009-2614(77)85117-8
. [all data]
Suzuki, Inoue, et al., 1984
Suzuki, M.; Inoue, G.; Akimoto, H.,
Laser induced fluorescence of CH3S and CD3S radicals,
J. Chem. Phys., 1984, 81, 12, 5405, https://doi.org/10.1063/1.447685
. [all data]
Hsu, Liu, et al., 1989
Hsu, Y.-C.; Liu, X.; Miller, T.A.,
Rotational analysis of A 2A1↔X 2E electronic transition of the jet-cooled methylthio radical,
J. Chem. Phys., 1989, 90, 12, 6852, https://doi.org/10.1063/1.456258
. [all data]
Chiang and Lee, 1991
Chiang, S.-Y.; Lee, Y.-P.,
Vibronic analysis of the A 2A1--X 2E laser-induced fluorescence of jet-cooled CH3S,
J. Chem. Phys., 1991, 95, 1, 66, https://doi.org/10.1063/1.461786
. [all data]
Liu, Matsuda, et al., 2003
Liu, C.-P.; Matsuda, Y.; Lee, Y.-P.,
Highly predissociative levels of CH[sub 3]S (A [sup 2]A[sub 1]) detected with degenerate four-wave mixing,
J. Chem. Phys., 2003, 119, 23, 12335, https://doi.org/10.1063/1.1624832
. [all data]
Liu, Reid, et al., 2005
Liu, C.-P.; Reid, S.A.; Lee, Y.-P.,
Two-color resonant four-wave mixing spectroscopy of highly predissociated levels in the A [sup 2]A[sub 1] state of CH[sub 3]S,
J. Chem. Phys., 2005, 122, 12, 124313, https://doi.org/10.1063/1.1867333
. [all data]
Han, Fu, et al., 2011
Han, H.-L.; Fu, L.; Lee, Y.-P.,
Infrared spectrum of mass-selected CH3S radicals investigated with infrared+vacuum ultraviolet photoionization,
Chem. Phys. Lett., 2011, 515, 1-3, 1, https://doi.org/10.1016/j.cplett.2011.06.090
. [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]
Bahou and Lee, 2010
Bahou, M.; Lee, Y.-P.,
Diminished cage effect in solid p-H[sub 2]: Infrared absorption of CH[sub 3]S observed from photolysis in situ of CH[sub 3]SH, CH[sub 3]SCH[sub 3], or CH[sub 3]SSCH[sub 3] isolated in p-H[sub 2] matrices,
J. Chem. Phys., 2010, 133, 16, 164316, https://doi.org/10.1063/1.3502105
. [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]
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]
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]
Endo, Saito, et al., 1986
Endo, Y.; Saito, S.; Hirota, E.,
The microwave spectrum of the thiomethoxy radical CH3S,
J. Chem. Phys., 1986, 85, 4, 1770, https://doi.org/10.1063/1.451178
. [all data]
Lee, Chiang, et al., 1990
Lee, Y.-Y.; Chiang, S.-Y.; Lee, Y.-P.,
Radiative lifetimes of the A 2A1 (v3=0--2) states of CH3S,
J. Chem. Phys., 1990, 93, 6, 4487, https://doi.org/10.1063/1.458687
. [all data]
Hsu and Ng, 1994
Hsu, C.-W.; Ng, C.Y.,
Nonresonant two-photon pulsed field ionization of CH3S formed in photodissociation of CH3SH and CH3SSCH3,
J. Chem. Phys., 1994, 101, 7, 5596, https://doi.org/10.1063/1.467346
. [all data]
Pushkarsky, Applegate, et al., 2000
Pushkarsky, M.B.; Applegate, B.E.; Miller, T.A.,
Photofragmentation dynamics of the thiomethoxy radical,
J. Chem. Phys., 2000, 113, 21, 9649, https://doi.org/10.1063/1.1289461
. [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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