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Sulfur hexafluoride

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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)
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
LL - Sharon G. Lias and Joel F. Liebman
B - John E. Bartmess

Quantity Value Units Method Reference Comment
IE (evaluated)15.32 ± 0.02eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)575.3kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity550.7kJ/molN/AHunter and Lias, 1998HL

Electron affinity determinations

EA (eV) Method Reference Comment
0.910 ± 0.070N/AMenk, Das, et al., 2014B
1.030 ± 0.050N/ATroe, Miller, et al., 2012W4 theory supports this (12KER/MAR) and lower level calculations have flaws; B
1.070 ± 0.070TDAsChen, Wiley, et al., 1994B
1.15 ± 0.15KineChen, Shuie, et al., 1988From the temperature dependence of the API spectra of SF5-/SF6-; B
1.05 ± 0.10TDEqGrimsrud, Chowdhury, et al., 1985«DELTA»Gea(423 K) = -29.8 kcal/mol; «DELTA»Sea = +13 eu. See also Chowdhury, Heinis, et al., 1986, Bopp, Roscioli, et al., 2007; B
1.39 ± 0.13KineHeneghan and Benson, 1983B
0.799982KineLifshitz, 1983Review: literature consistent with «DELTA»S(act) for detachment = -14 eu; B
1.20 ± 0.30N/AChase Jr., Curnutt, et al., 1982Literature average; B
0.542052LPDDrzaic and Brauman, 1982B
>0.934931R-ARefaey and Franklin, 1978B
2.60 ± 0.10ECDChen and Chen, 2007B
2.60 ± 0.10ECDChen and Chen, 2007B
3.15999LPDDatskos, Carter, et al., 1995Stated electron affinity is the Vertical Detachment Energy; B
>0.698163ECDChen and Wentworth, 1983B
0.46 ± 0.20NBIECompton, Reinhardt, et al., 1978B
0.75 ± 0.10NBIELeffert, Tang, et al., 1974B
0.54 ± 0.17NBIECompton and Cooper, 1973B
0.53 ± 0.10NBIECompton, Cooper, et al., 1973B
>0.60 ± 0.10EndoLifshitz, Tiernan, et al., 1973B
0.95 ± 0.52IMRBFehsenfeld, 1971B
0.43IMRBLifshitz, Hughes, et al., 1970B
>0.698163ECDChen, George, et al., 1968B
1.10002ESCompton, Christophorou, et al., 1966B
0.32 ± 0.15NBIEHubers and Los, 1975B
1.49 ± 0.22SIKay and Page, 1964The Magnetron method, lacking mass analysis, is not considered reliable.; B

Gas basicity at 298K

Gas basicity (review) (kJ/mol) Reference Comment
575.3Pepi, Ricci, et al., 2005T = 298K; PA(SF6) equated to PA(N2O) based on dissociative PT reactions with large entropy changes that may affect the kinetics.; MM

Ionization energy determinations

IE (eV) Method Reference Comment
15.30PEDelwiche, 1969RDSH
15.30PEDelwiche, 1969RDSH
15.35 ± 0.02PEFrost, McDowell, et al., 1967RDSH
15.7PEBieri, Asbrink, et al., 1982Vertical value; LBLHLM
15.7PESell and Kupperman, 1978Vertical value; LLK
15.69PEPotts, Lempka, et al., 1970Vertical value; RDSH
15.81PEDelwiche, 1969Vertical value; RDSH

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
F+37.5 ± 1.0?EIPullen and Stockdale, 1976LLK
FS+37.6 ± 3.0?EIPullen and Stockdale, 1976LLK
FS+30.5 ± 0.5?EIHildenbrand, 1973LLK
F2+18.0 ± 1.0?EIPullen and Stockdale, 1976LLK
F2S+27.0 ± 0.3?EIPullen and Stockdale, 1976LLK
F2S+27.5 ± 0.5?EIHildenbrand, 1973LLK
F3S+18.79 ± 0.14?PIMitsuke, Suzuki, et al., 1990LL
F3S+19.4 ± 0.5?PISasanuma, Ishiguro, et al., 1979LLK
F3S+19.6 ± 0.5?EIPullen and Stockdale, 1976LLK
F3S+20.0 ± 0.5?EIHildenbrand, 1973LLK
SF3+19.80 ± 0.10F2+F?EIDelwiche, 1969RDSH
F3S+21.53FPEDelwiche, 1969RDSH
F3S+19.8 ± 0.1F2+FPEDelwiche, 1969RDSH
F4S+19.1 ± 0.52FPISasanuma, Ishiguro, et al., 1979LLK
F4S+19.6 ± 1.02FEIPullen and Stockdale, 1976LLK
F4S+18.44 ± 0.102FEIHildenbrand, 1973LLK
F4S+18.5 ± 0.12FPEDelwiche, 1969RDSH
SF4+18.50 ± 0.102F?EIDelwiche, 1969RDSH
F5S+15.32 ± 0.04FPIMitsuke, Suzuki, et al., 1990LL
F5S+<=13.78FIMBStone and Wytenberg, 1989T = 298K; LL
F5S+13.97 ± 0.04FENDTichy, Javahery, et al., 1987LBLHLM
F5S+<=14.4FIMBShul, Upschulte, et al., 1987LBLHLM
F5S+14.62 ± 0.09FIMBBabcock and Streit, 1981LLK
F5S+15.3 ± 0.2FPISasanuma, Ishiguro, et al., 1979LLK
F5S+16.2 ± 0.2FEIPullen and Stockdale, 1976LLK
F5S+<=14.53 ± 0.05FPIPECOSimm, Danby, et al., 1975LLK
F5S+15.50 ± 0.10FEIHildenbrand, 1973LLK
F5S+15.75 ± 0.05FPEDelwiche, 1969RDSH
SF5+15.75 ± 0.05FEIDelwiche, 1969RDSH
SF5+15.29FPIDibeler and Walker, 1966RDSH
SF5+15.85 ± 0.15FEIFox and Curran, 1961RDSH
F5S+15.9 ± 0.2FEIDibeler and Mohler, 1948RDSH


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]

Menk, Das, et al., 2014
Menk, S.; Das, S.; Blaum, K.; Froese, M.W.; Lange, M.; Mukherjee, M.; Repnow, R.; Schwalm, D.; von Hahn, R.; Wolf, A., Vibrational autodetachment of sulfur hexafluoride anions at its long-lifetime limit, Phys. Rev. A, 2014, 89, 2, 022502, https://doi.org/10.1103/PhysRevA.89.022502 . [all data]

Troe, Miller, et al., 2012
Troe, J.; Miller, T.M.; Viggiano, A.A., Communication: Revised electron affinity of SF6 from kinetic data, J. Chem. Phys., 2012, 136, 12, 121102, https://doi.org/10.1063/1.3698170 . [all data]

Chen, Wiley, et al., 1994
Chen, E.C.M.; Wiley, J.R.; Batten, C.F.; Wentworth, W.E., Determination of the Electron Affinities of Molecules Using Negative Ion Mass Spectrometry, J. Phys. Chem., 1994, 98, 1, 88, https://doi.org/10.1021/j100052a016 . [all data]

Chen, Shuie, et al., 1988
Chen, E.C.M.; Shuie, L.-R.; DSa, E.D.; Batten, C.F.; Wentworth, W.E., The Negative Ion States of SF6, J. Chem. Phys., 1988, 88, 8, 4711, https://doi.org/10.1063/1.454710 . [all data]

Grimsrud, Chowdhury, et al., 1985
Grimsrud, E.P.; Chowdhury, S.; Kebarle, P., Electron affinity of SF6 and perfluoromethylcyclohexane. The unusual kinetics of electron transfer reactions A- + B- + A, where A = SF6 or perfluorinated cycloalkanes, J. Chem. Phys., 1985, 83, 1059. [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]

Bopp, Roscioli, et al., 2007
Bopp, J.C.; Roscioli, J.R.; Johnson, M.A.; Miller, T.M.; Viggiano, A.A.; Villano, S.M.; Wren, S.W.; Lineberger, Spectroscopic characterization of the isolated SF6- and C4F8- anions: Observation of very long harmonic progressions in symmetric deformation modes upon photodetachment, J. Phys. Chem. A, 2007, 111, 7, 1214-1221, https://doi.org/10.1021/jp0665372 . [all data]

Heneghan and Benson, 1983
Heneghan, S.P.; Benson, S.W., Kinetics and thermochemistry of electron attachment to SF6, Int. J. Chem. Kinet., 1983, 15, 109. [all data]

Lifshitz, 1983
Lifshitz, C., Energy-entropy trade-offs in the unimolecular decompositions of SF6-, J. Phys. Chem., 1983, 87, 3474. [all data]

Chase Jr., Curnutt, et al., 1982
Chase Jr.; Curnutt, J.L.; Downy Jr.; McDonald, R.A.; Syverrud, A.N.; Valenzuela, E.A., JANAF Thermochemical Tables 1982 Supplement, J. Phys. Chem. Ref. Data, 1982, 11, 3, 695, https://doi.org/10.1063/1.555666 . [all data]

Drzaic and Brauman, 1982
Drzaic, P.S.; Brauman, J.I., Electron photodetachment of sulfur hexafluoride anion. Comments on the structure of SF6-, J. Am. Chem. Soc., 1982, 104, 13. [all data]

Refaey and Franklin, 1978
Refaey, K.M.A.; Franklin, J.L., Collisonal decomposition of SF6-, Int. J. Mass Spectrom. Ion Phys., 1978, 26, 125. [all data]

Chen and Chen, 2007
Chen, E.C.M.; Chen, E.S., Electron affinities and activation energies for reactions with thermal electrons: SF6 and SF5, Phys. Rev. A, 2007, 76, 3, 032508, https://doi.org/10.1103/PhysRevA.76.032508 . [all data]

Datskos, Carter, et al., 1995
Datskos, P.G.; Carter, J.G.; Christophorou, L.G., Photodetachment of SF6-, Chem. Phys. Lett., 1995, 239, 1-3, 38, https://doi.org/10.1016/0009-2614(95)00417-3 . [all data]

Chen and Wentworth, 1983
Chen, E.C.M.; Wentworth, W.E., Determination of molecular electron affinities using the electron capture detector in the pulse sampling mode at steady state, J. Phys. Chem., 1983, 87, 45. [all data]

Compton, Reinhardt, et al., 1978
Compton, R.N.; Reinhardt, P.W.; Cooper, C.D., Collisional ionization between fast alkali atoms and selected hexafluoride molecules, J. Chem. Phys., 1978, 68, 2023. [all data]

Leffert, Tang, et al., 1974
Leffert, C.B.; Tang, S.Y.; Rothe, E.W.; Cheng, T.C., Collisional ionization of Cs with SF6, J. Chem. Phys., 1974, 61, 4929. [all data]

Compton and Cooper, 1973
Compton, R.N.; Cooper, C.D., Molecular electron affinities from collisional ionization of cesium. II. SF6 and TeF6, J. Chem. Phys., 1973, 59, 4140. [all data]

Compton, Cooper, et al., 1973
Compton, R.N.; Cooper, R.D.; Divver, W.T.; Reinhardt, P.W., Molecular electron affinities from collisional ionization of cesium: SF6, Bull. Am. Phys. Soc., 1973, 18, 810. [all data]

Lifshitz, Tiernan, et al., 1973
Lifshitz, C.; Tiernan, T.O.; Hughes, B.M., Electron affinities from endothermic negative-ion charge transfer reactions. IV. SF6, selected fluorocarbons, and other polyatomic molecules, J. Chem. Phys., 1973, 59, 3182. [all data]

Fehsenfeld, 1971
Fehsenfeld, F.C., Ion Chemistry of SF6, J. Chem. Phys., 1971, 54, 438. [all data]

Lifshitz, Hughes, et al., 1970
Lifshitz, C.; Hughes, B.M.; Tiernan, T.O., Electron Affinities for Endothermic Negative Ion Charge Transfer Reactions: NO2 and SF6, Chem. Phys. Lett., 1970, 7, 4, 469, https://doi.org/10.1016/0009-2614(70)80339-6 . [all data]

Chen, George, et al., 1968
Chen, E.C.M.; George, R.D.; Wentworth, W.E., Experimental Determination of Rate Constants for Thermal Electron Attachment to Gaseous SF6 and C7F14, J. Chem. Phys., 1968, 49, 4, 1973, https://doi.org/10.1063/1.1670342 . [all data]

Compton, Christophorou, et al., 1966
Compton, R.N.; Christophorou, L.G.; Hurst, G.S.; Reinhardt, P.W., Nondissociative Electron Capture in Complex Molecules and Negative Ion Lifetimes, J. Chem. Phys., 1966, 45, 12, 4634, https://doi.org/10.1063/1.1727547 . [all data]

Hubers and Los, 1975
Hubers, M.M.; Los, J., Ion pair formation in alkali-SF6 collisions: Dependence on collisional and vibrational energy, Chem. Phys., 1975, 10, 235. [all data]

Kay and Page, 1964
Kay, J.; Page, F.M., Determination of Electron Affinities. Part 7.- Sulphur Hexafluoride and Disulphur Decafluoride, Trans. Farad. Soc., 1964, 60, 1042, https://doi.org/10.1039/tf9646001042 . [all data]

Pepi, Ricci, et al., 2005
Pepi, F.; Ricci, A.; Di Stefano, M.; Rosi, M., Gas phase protonation of trifluoromethyl sulfur pentafluoride, Phys. Chem. Chem. Phys., 2005, 7, 1181. [all data]

Delwiche, 1969
Delwiche, J., Ionization of sulphur hexafluoride by photon and electron impact, Bull. Classe Sci. Acad. Roy. Belg., 1969, 55, 215. [all data]

Frost, McDowell, et al., 1967
Frost, D.C.; McDowell, C.A.; Sandhu, J.S.; Vroom, D.A., Photoelectron spectrum of sulfur hexafluoride at 584 A, J. Chem. Phys., 1967, 46, 2008. [all data]

Bieri, Asbrink, et al., 1982
Bieri, G.; Asbrink, L.; Von Niessen, W., 30.4-nm He(II) photoelectron spectra of organic molecules, J. Electron Spectrosc. Relat. Phenom., 1982, 27, 129. [all data]

Sell and Kupperman, 1978
Sell, J.A.; Kupperman, A., Angular distributions in the photoelectron spectroscopy of SF6, Chem. Phys., 1978, 33, 379. [all data]

Potts, Lempka, et al., 1970
Potts, A.W.; Lempka, H.J.; Streets, D.G.; Price, W.C., Photoelectron spectra of the halides of elements in groups III, IV, V and VI, Phil. Trans. Roy. Soc. (London), 1970, A268, 59. [all data]

Pullen and Stockdale, 1976
Pullen, B.P.; Stockdale, J.A.D., Dissociative ionization of SF6 by electron impact, Int. J. Mass Spectrom. Ion Phys., 1976, 19, 35. [all data]

Hildenbrand, 1973
Hildenbrand, D.L., Mass spectrometric studies of some gaseous sulfur fluorides, J. Phys. Chem., 1973, 77, 897. [all data]

Mitsuke, Suzuki, et al., 1990
Mitsuke, K.; Suzuki, S.; Imamura, T.; Koyano, I., Negative-ion mass spectrometric study of ion-pair formation in the vacuum ultraviolet. III. SF6 Ü F- + SF5+, J. Chem. Phys., 1990, 93, 8717. [all data]

Sasanuma, Ishiguro, et al., 1979
Sasanuma, M.; Ishiguro, E.; Hayaisha, T.; Masuko, H.; Morioka, Y.; Nakajima, T.; Nakamura, M., Photoionisation of SF6 in the XUV region, J. Phys. B:, 1979, 12, 4057. [all data]

Stone and Wytenberg, 1989
Stone, J.A.; Wytenberg, W.J., A high pressure mass spectrometric study of the formation and chemistry of the pentafluorosulphur cation (SF5+), Int. J. Mass Spectrom. Ion Processes, 1989, 94, 269. [all data]

Tichy, Javahery, et al., 1987
Tichy, M.; Javahery, G.; Twiddy, N.D.; Ferguson, E.E., The thermal energy reactions HCl+ + SF6 Ü SF5+ + HF + Cl and HCl+ + CF4 Ü CF3+ + HF + Cl, Int. J. Mass Spectrom. Ion Processes, 1987, 79, 231. [all data]

Shul, Upschulte, et al., 1987
Shul, R.J.; Upschulte, B.L.; Passarella, R.; Keesee, R.G.; Castleman, A.W., Thermal energy charge-transfer reactions of Ar+ and Ar2+, J. Phys. Chem., 1987, 91, 2556. [all data]

Babcock and Streit, 1981
Babcock, L.M.; Streit, G.E., Ion-molecule reactions of SF6: Determination of I. P. (SF6), A. P.(SF5+/SF6), and D(SF5-F), J. Chem. Phys., 1981, 74, 5700. [all data]

Simm, Danby, et al., 1975
Simm, I.G.; Danby, C.J.; Eland, J.H.D.; Mansell, P.I., Translational energy release in the loss of fluorine atoms from the ions SF6+, CF4+ and C2F6+, J. Chem. Soc., 1975, 426. [all data]

Dibeler and Walker, 1966
Dibeler, V.H.; Walker, J.A., Photoionization efficiency curve for SF6 in the wavelength region 1050 to 600, J. Chem. Phys., 1966, 44, 4405. [all data]

Fox and Curran, 1961
Fox, R.E.; Curran, R.K., Ionization processes in CCl4 and SF6 by electron beams, J. Chem. Phys., 1961, 34, 1595. [all data]

Dibeler and Mohler, 1948
Dibeler, V.H.; Mohler, F.L., Dissociation of SF6, CF4, and SiF4 by electron impact, J. Res. Natl. Bur. Stand. U.S., 1948, 40, 25. [all data]


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