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Mercaptomethyl radical


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 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)175.4kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity167.7kcal/molN/AHunter and Lias, 1998HL

Electron affinity determinations

EA (eV) Method Reference Comment
0.78 ± 0.33IMRBKass, Guo, et al., 1990Between O2 and SO2. Explains bad anchor in McIver Jr. and Fukuda, 1982; B

Ionization energy determinations

IE (eV) Method Reference Comment
7.536 ± 0.003PIRuscic and Berkowitz, 1992LL

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:   ?


 Energy 
 (cm-1
 Med.   Transition   «lambda»min 
 (nm) 
 «lambda»max 
 (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

sStrong
TTentative assignment or approximate value
xEnergy 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

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