Sulfine


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:
MM - Michael M. Meot-Ner (Mautner)

View reactions leading to CH2OS+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
Proton affinity (review)798.9kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity766.4kJ/molN/AHunter and Lias, 1998HL

Proton affinity at 298K

Proton affinity (kJ/mol) Reference Comment
787.6 ± 2.6Bouchoux and Salpin, 1999T = 306K; Re-evaluated thermokinetic parametric fitting by the authors using reference base GBs and PAs from Hunter and Lias, 1998; MM
787.6 ± 2.6Bouchoux and Salpin, 1999T = 298K; MM

Gas basicity at 298K

Gas basicity (review) (kJ/mol) Reference Comment
755.1 ± 1.5Bouchoux and Salpin, 1999T = 306K; Re-evaluated thermokinetic parametric fitting by the authors using reference base GBs and PAs from Hunter and Lias, 1998; MM
755.1 ± 1.5Bouchoux and Salpin, 1999T = 298K; MM

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

Tx = 41220 Ar B-X Schreiner, Reisenauer, et al., 2009

State:   A


 Energy 
 (cm-1
 Med.   Transition   λmin 
 (nm) 
 λmax 
 (nm) 
 References

Tx = 33000 T Ar Schreiner, Reisenauer, et al., 2009

State:   X


Vib. 
sym. 
 No.   Approximate 
 type of mode 
 cm-1   Med.   Method   References

a' 1 CH2 a-stretch 3117 w Ar IR Suzuki and Watari, 1995
2 CH2 s-stretch 2985 w gas IR Clouthier and Vollmer, 1995
2 CH2 s-stretch 3013 w Ar IR Powers, Arrington, et al., 1979
Suzuki and Watari, 1995
3 CH2 scissors 1355 gas IR Clouthier and Vollmer, 1995
3 CH2 scissors 1357 s Ar IR Powers, Arrington, et al., 1979
Suzuki and Watari, 1995
4 SO stretch 1175.75 gas IR Block, Penn, et al., 1976
Koga, Takeo, et al., 1984
Clouthier and Vollmer, 1995
4 SO stretch 1165 s Ar IR Powers, Arrington, et al., 1979
Suzuki and Watari, 1995
5 CS stretch 972 w Ar IR Powers, Arrington, et al., 1979
Suzuki and Watari, 1995
6 CH2 rock 866 T gas IR Joo, Clouthier, et al., 1995
6 CH2 rock 860 w Ar IR Powers, Arrington, et al., 1979
Suzuki and Watari, 1995
7 CSO bend 397 w Ar IR Powers, Arrington, et al., 1979
Suzuki and Watari, 1995
a 8 H2CS OPLA 762.07 gas IR Block, Penn, et al., 1976
Koga, Takeo, et al., 1984
Joo, Clouthier, et al., 1995
8 H2CS OPLA 765 s Ar IR Powers, Arrington, et al., 1979
Suzuki and Watari, 1995

Additional references: Jacox, 1994, page 259; Jacox, 1998, page 284; Penn and Olsen, 1976

Notes

wWeak
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]

Bouchoux and Salpin, 1999
Bouchoux, J.; Salpin, J.Y., Re-evaluated gas-phase basicity and proton affinity data from the thermokinetic method, Rapid Com. Mass Spectrom., 1999, 13, 932. [all data]

Schreiner, Reisenauer, et al., 2009
Schreiner, P.R.; Reisenauer, H.P.; Romanski, J.; Mloston, G., A Formal Carbon-Sulfur Triple Bond: H«63743»C«63741»S«63743»O«63743»H, Angew. Chem. Int. Ed., 2009, 48, 43, 8133, https://doi.org/10.1002/anie.200903969 . [all data]

Suzuki and Watari, 1995
Suzuki, E.; Watari, F., Spectrochim. Acta, 1995, 51A, 779. [all data]

Clouthier and Vollmer, 1995
Clouthier, D.J.; Vollmer, J.M., An experimental and ab initio reexamination of the infrared spectrum of sulfine, H2CSO, J. Mol. Struct., 1995, 354, 1, 49, https://doi.org/10.1016/0022-2860(95)08857-R . [all data]

Powers, Arrington, et al., 1979
Powers, D.E.; Arrington, C.A.; Harris, W.C.; Block, E.; Kalasinsky, V.F., Infrared spectra of matrix-isolated sulfine, J. Phys. Chem., 1979, 83, 14, 1890, https://doi.org/10.1021/j100477a020 . [all data]

Block, Penn, et al., 1976
Block, E.; Penn, R.E.; Olsen, R.J.; Sherwin, P.F., Sulfine, J. Am. Chem. Soc., 1976, 98, 5, 1264, https://doi.org/10.1021/ja00421a038 . [all data]

Koga, Takeo, et al., 1984
Koga, Y.; Takeo, H.; Kondo, S.; Matsumura, C.; Saeki, S., Analysis of rotation-vibration bands of sulfine, (CH2SO), by FT-IR and microwave spectroscopy., Bull. Chem. Soc. Japan, 1984, 57, 9, 2400, https://doi.org/10.1246/bcsj.57.2400 . [all data]

Joo, Clouthier, et al., 1995
Joo, D.-L.; Clouthier, D.J.; Chan, C.P.; Lai, V.W.-M.; E.S.F.Ma.; Merer, A.J., Determination of the Molecular Constants for Interacting Bright and Dark States: Analysis of the High-Resolution Infrared Spectrum of the ν8 Band of Sulfine, H2CSO, J. Mol. Spectrosc., 1995, 171, 1, 113, https://doi.org/10.1006/jmsp.1995.1105 . [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]

Penn and Olsen, 1976
Penn, R.E.; Olsen, R.J., Microwave spectrum, centrifugal distortion, substitution structure, and dipole moment of sulfine, CH2SO, J. Mol. Spectrosc., 1976, 61, 1, 21, https://doi.org/10.1016/0022-2852(76)90378-7 . [all data]


Notes

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