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Sulfuryl fluoride


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
L - Sharon G. Lias

Data compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
B - John E. Bartmess

Quantity Value Units Method Reference Comment
IE (evaluated)13.04 ± 0.01eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)605.5kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity580.5kJ/molN/AHunter and Lias, 1998HL

Electron affinity determinations

EA (eV) Method Reference Comment
0.77 ± 0.33IMRBArnold, Miller, et al., 2002B
<3.07998IMRBGalembeck, Faigle, et al., 1978EA: < F2. Computations indicate EA ca. 28 kcal/mol; B

Ionization energy determinations

IE (eV) Method Reference Comment
~13.0PEChadwick, Frost, et al., 1973LLK
13.04 ± 0.01PEDeKock, Lloyd, et al., 1972LLK
13.3 ± 0.1EIReese, Dibeter, et al., 1958RDSH
13.75PESolouki, Bock, et al., 1975Vertical value; LLK
13.75PESolouki, Bock, et al., 1972Vertical value; LLK
13.43PEMines, Thomas, et al., 1972Vertical value; LLK
13.55PEChadwick, Cornford, et al., 1972Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
SOF+18.6 ± 0.1?EIReese, Dibeter, et al., 1958RDSH
O2FS+14.8 ± 0.5FEISullivan and Beauchamp, 1978LLK
SO2F+15.1 ± 0.2FEIReese, Dibeter, et al., 1958RDSH
SO+24.3 ± 0.32F+OEIReese, Dibeter, et al., 1958RDSH
SO2+19.9 ± 0.32F?EIReese, Dibeter, et al., 1958RDSH

References

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

Arnold, Miller, et al., 2002
Arnold, S.T.; Miller, T.M.; Viggiano, A.A., A combined experimental and theoretical study of sulfur oxyfluoride anion and neutral thermochemistry and reactivity, J. Phys. Chem. A, 2002, 106, 42, 9900-9909, https://doi.org/10.1021/jp020557w . [all data]

Galembeck, Faigle, et al., 1978
Galembeck, S.E.; Faigle, J.F.G.; Riveros, J.M., An. Acad. Brasil Cienc., 1978, 50, 1. [all data]

Chadwick, Frost, et al., 1973
Chadwick, D.; Frost, D.C.; Herring, F.G.; Katrib, A.; McDowell, C.A.; McLean, R.A.N., Photoelectron spectra of sulfuryl and thionyl halides, Can. J. Chem., 1973, 51, 1893. [all data]

DeKock, Lloyd, et al., 1972
DeKock, R.L.; Lloyd, D.R.; Hillier, I.H.; Saunders, V.R., Experimental and theoretical study of the electronic structures of sulphuryl fluoride and perchloryl fluoride, Proc. R. Soc. London A:, 1972, 328, 401. [all data]

Reese, Dibeter, et al., 1958
Reese, R.M.; Dibeter, V.H.; Franklin, J.L., Electron impact studies of sulfur dioxide and sulfuryl fluoride, J. Chem. Phys., 1958, 29, 880. [all data]

Solouki, Bock, et al., 1975
Solouki, B.; Bock, H.; Appel, R., Photoelektronenspektren und Molekuleigenschaften, XLV Schwefelsaure-Derivate X2SY2: Alkyl-, Vinyl- und Arylsulfone, Alkylsulfoimide und Sulfurylhalogenide, Chem. Ber., 1975, 108, 897. [all data]

Solouki, Bock, et al., 1972
Solouki, B.; Bock, H.; Appel, R., Sequence of orbitals in sulfones and sulfodiimides, Angew. Chem. Int. Ed. Engl., 1972, 11, 927. [all data]

Mines, Thomas, et al., 1972
Mines, G.W.; Thomas, R.K.; Thompson, H., Photoelectron spectra of compounds containing thionyl and sulphuryl groups, Proc. R. Soc. London A:, 1972, 329, 275. [all data]

Chadwick, Cornford, et al., 1972
Chadwick, D.; Cornford, A.B.; Frost, D.C.; Herring, F.G.; Katrib, A.; McDowell, C.A.; McLean, R.A.N., Photoelectron spectra of some dihalocompounds in Electron spectroscopy, ed. D.A. Shirley (North-Holland Publixhing Co, Amsterdam), 1972, 453. [all data]

Sullivan and Beauchamp, 1978
Sullivan, S.A.; Beauchamp, J.L., Positive and negative ion chemistry of sulfuryl halides, Int. J. Mass Spectrom. Ion Phys., 1978, 28, 69. [all data]


Notes

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