CH3S

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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 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 ± 0.0040LPESSchwartz, Davico, et al., 2000B
1.871 ± 0.012LPESMoran and Ellison, 1988B
1.90 ± 0.13D-EABartmess, Scott, et al., 1979value altered from reference due to change in acidity scale; B
1.882 ± 0.022LPESEngleking, Ellison, et al., 1978B
1.8610 ± 0.0040LPDJanousek and Brauman, 1980B
1.8610 ± 0.0040LPDJanousek, Reed, et al., 1980B
1.36163SIPage and Goode, 1969The Magnetron method, lacking mass analysis, is not considered reliable.; B

Ionization energy determinations

IE (eV) Method Reference Comment
9.262 ± 0.005PIRuscic and Berkowitz, 1992LL
9.225 ± 0.014PINourbakhsh, Norwood, et al., 1991LL
8.1 ± 0.3CIELGriffiths and Harris, 1987LBLHLM
8.1 ± 0.1EIPalmer and Lossing, 1962RDSH

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: 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

TTentative assignment or approximate value
oEnergy separation between the v = 0 levels of the excited and electronic ground states.
dPhotodissociation threshold

References

Go To: Top, Gas phase ion energetics data, 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.

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, NIST Free Links, References