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Sulfur dioxide

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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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias

Data compiled as indicated in comments:
MM - Michael M. Meot-Ner (Mautner)
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
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

View reactions leading to O2S+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)12.349 ± 0.001eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)672.3kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity643.3kJ/molN/AHunter and Lias, 1998HL

Electron affinity determinations

EA (eV) Method Reference Comment
1.1070 ± 0.0080LPESNimlos and Ellison, 1986B
1.097 ± 0.036LPESCelotta, Bennett, et al., 1974B
1.10 ± 0.10TDEqChowdhury, Heinis, et al., 1986«DELTA»Gea(423 K) = -26.1 kcal/mol; «DELTA»Sea (estimated) = +2.0 eu. Original: Caldwell and Kebarle, 19842. Not direct measurement, but anchor for extensiveEA equilibrium scale. See text.; B
1.10 ± 0.20IMRBGrabowski, VanDoren, et al., 1984B
1.04998EndoRefaey and Franklin, 1976B
1.00 ± 0.10EndoHughes, Lifschitz, et al., 1973B
1.00 ± 0.050PDFeldman, 1970B
1.06 ± 0.10IMRBKraus, Muller-Duysing, et al., 1961Between NH2-, C-; B
1.14 ± 0.15NBIERothe, Tang, et al., 1975B

Gas basicity at 298K

Gas basicity (review) (kJ/mol) Reference Comment
<622.Milligan, Fairley, et al., 1998Irreversible PT from SO2H+ to C2N2 shows GB(SO2) < GB(C2N2), and using GB(C2N2) for reference from this paper; MM
<607.Milligan, Fairley, et al., 1998Irreversible PT from SO2H+ to C2H2 shows GB(SO2) < (GB(C2H2) + 4.5 kcal/mol); MM

Ionization energy determinations

IE (eV) Method Reference Comment
12.5 ± 0.1EISnow and Thomas, 1990LL
12.3494 ± 0.0002PEWang, Lee, et al., 1987LBLHLM
12.5 ± 0.3EIOrient and Srivastava, 1984LBLHLM
12.4 ± 0.2EISmith and Stevenson, 1981LLK
12.3PELloyd and Roberts, 1973LLK
12.31PEBock, Solouki, et al., 1973LLK
12.30 ± 0.01PEEland and Danby, 1968RDSH
12.32 ± 0.01PIDibeler and Liston, 1968RDSH
12.34SGolomb, Watanabe, et al., 1962RDSH
12.34 ± 0.02PIWatanabe, 1957RDSH
12.50PEKimura, Katsumata, et al., 1981Vertical value; LLK
12.54PEKroner, Strack, et al., 1973Vertical value; LLK
12.50PEChadwick, Frost, et al., 1973Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
O+23.5 ± 0.5SOEIOrient and Srivastava, 1984LBLHLM
O+20.6SOEIReese, Dibeter, et al., 1958RDSH
OS+16.5 ± 0.5OEIOrient and Srivastava, 1984LBLHLM
OS+16.2 ± 0.2OEISmith and Stevenson, 1981LLK
OS+15.930 ± 0.005OPEWeiss, Hsieh, et al., 1979LLK
SO+15.81 ± 0.02OPIDibeler and Liston, 1968RDSH
O2+17.5 ± 0.3SEIReese, Dibeter, et al., 1958RDSH
S+16.5 ± 0.5O2/2OEIOrient and Srivastava, 1984LBLHLM
S+22.2OEISmith and Stevenson, 1981LLK
S+16.334O2/2OPEWeiss, Hsieh, et al., 1979LLK
S+17.5 ± 0.3O2EIReese, Dibeter, et al., 1958RDSH


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]

Nimlos and Ellison, 1986
Nimlos, M.R.; Ellison, G.B., Photoelectron spectroscopy of SO2-, S3-, and S2O-, J. Phys. Chem., 1986, 90, 2574. [all data]

Celotta, Bennett, et al., 1974
Celotta, R.S.; Bennett, R.A.; Hall, J.L., Laser Photodetachment Determination of the Electron Affinities of OH, NH2, NH, SO2, and S2, J. Chem. Phys., 1974, 60, 5, 1740, https://doi.org/10.1063/1.1681268 . [all data]

Chowdhury, Heinis, et al., 1986
Chowdhury, S.; Heinis, T.; Grimsrud, E.P.; Kebarle, P., Entropy Changes and Electron Affinities from Gas-Phase Electron Transfer Equilibria: A- + B = A + B-, J. Phys. Chem., 1986, 90, 12, 2747, https://doi.org/10.1021/j100403a037 . [all data]

Caldwell and Kebarle, 1984
Caldwell, G.; Kebarle, P., Binding energies and structural effects in halide anion-ROH and -RCOOH complexes from gas phase equilibria measurements, J. Am. Chem. Soc., 1984, 106, 967. [all data]

Grabowski, VanDoren, et al., 1984
Grabowski, J.J.; VanDoren, J.M.; DePuy, C.H.; Bierbaum, V.M., Flowing Afterglow Studies of the Electron Affinity of SO2, J. Chem. Phys., 1984, 80, 1, 575, https://doi.org/10.1063/1.446412 . [all data]

Refaey and Franklin, 1976
Refaey, K.M.A.; Franklin, J.L., Endoergic ion-molecule-collision processes of negative ions. I. Collision of I- on SO2, J. Chem. Phys., 1976, 65, 1994. [all data]

Hughes, Lifschitz, et al., 1973
Hughes, B.M.; Lifschitz, C.; Tiernan, T.O., Electron affinities from endothermic negative-ion charge-transfer reactions. III. NO, NO2, S2, CS2, Cl2, Br2, I2, and C2H, J. Chem. Phys., 1973, 59, 3162. [all data]

Feldman, 1970
Feldman, D., Photoablosung von Elektronen bei einigen Stabilen Negativen Ionen, Z. Naturfor., 1970, 25A, 621. [all data]

Kraus, Muller-Duysing, et al., 1961
Kraus, K.; Muller-Duysing, W.; Neuert, H., Uber Stosse Langsamer Negativer Ionen mit Ladungsubertragung, Z. Naturfor., 1961, 16A, 1385. [all data]

Rothe, Tang, et al., 1975
Rothe, E.W.; Tang, S.Y.; Reck, G.P., Measurement of electron affinities of O3, SO2, and SO3 by collisional ionization, J. Chem. Phys., 1975, 62, 3829. [all data]

Milligan, Fairley, et al., 1998
Milligan, D.B.; Fairley, D.A.; Meot-Ner (Mautner), M.; McEwan, M.J., Proton affinity of cyanogen and association reactions of C2N2H+ and C2N2CH3+, Int. J. Mass Spectrom., 1998, 180, 285. [all data]

Snow and Thomas, 1990
Snow, K.B.; Thomas, T.F., Mass spectrum, ionization potential, and appearance potentials for fragment ions of sulfuric acid vapor, Int. J. Mass Spectrom. Ion Processes, 1990, 96, 49. [all data]

Wang, Lee, et al., 1987
Wang, L.; Lee, Y.T.; Shirley, D.A., Molecular beam photoelectron spectroscopy of SO2: Geometry, spectroscopy, and dynamics of SO2, J. Chem. Phys., 1987, 87, 2489. [all data]

Orient and Srivastava, 1984
Orient, O.J.; Srivastava, S.K., Mass spectrometric determination of partial and total electron impact ionization cross sections of SO2 from threshold up to 200 eV, J. Chem. Phys., 1984, 80, 140. [all data]

Smith and Stevenson, 1981
Smith, O.I.; Stevenson, J.S., Determination of cross sections for formation of parent and fragment ions by electron impact from SO2 and SO3, J. Chem. Phys., 1981, 74, 6777. [all data]

Lloyd and Roberts, 1973
Lloyd, D.R.; Roberts, P.J., The assignment of the photoelectron spectrum of sulphur dioxide, Mol. Phys., 1973, 26, 225. [all data]

Bock, Solouki, et al., 1973
Bock, H.; Solouki, B.; Rosmus, P.; Steudel, R., Photoelectron spectra and molecular properties: SSO and OSO, Angew. Chem. Int. Ed. Engl., 1973, 12, 933. [all data]

Eland and Danby, 1968
Eland, J.H.D.; Danby, C.J., Photoelectron spectra and ionic structure of carbon dioxide, carbon disulphide and sulphur dioxide, Intern. J. Mass Spectrom. Ion Phys., 1968, 1, 111. [all data]

Dibeler and Liston, 1968
Dibeler, V.H.; Liston, S.K., Mass-spectrometric study of photoionization. XI.Hydrogen sulfide and sulfur dioxide, J. Chem. Phys., 1968, 49, 482. [all data]

Golomb, Watanabe, et al., 1962
Golomb, D.; Watanabe, K.; Marmo, F.F., Absorption coefficients of sulfur dioxide in the vacuum ultraviolet, J. Chem. Phys., 1962, 36, 958. [all data]

Watanabe, 1957
Watanabe, K., Ionization potentials of some molecules, J. Chem. Phys., 1957, 26, 542. [all data]

Kimura, Katsumata, et al., 1981
Kimura, K.; Katsumata, S.; Achiba, Y.; Yamazaki, T.; Iwata, S., Ionization energies, Ab initio assignments, and valence electronic structure for 200 molecules in Handbook of HeI Photoelectron Spectra of Fundamental Organic Compounds, Japan Scientific Soc. Press, Tokyo, 1981. [all data]

Kroner, Strack, et al., 1973
Kroner, J.; Strack, W.; Holsboer, F.; Kosbahn, W., Zur elektronenstruktur der thiokumulene, Z. Naturforsch. B:, 1973, 28, 188. [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]

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]

Weiss, Hsieh, et al., 1979
Weiss, M.J.; Hsieh, T.-C.; Meisels, G.G., Fragmentation of SO2+ prepared in state selected vibrational levels, J. Chem. Phys., 1979, 71, 567. [all data]


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