Sulfur dioxide

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.

Gas phase ion energetics data

Go To: Top, References, Notes

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., 1986ΔGea(423 K) = -26.1 kcal/mol; ΔSea (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, . [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, . [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, . [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, . [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]


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