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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:
B - John E. Bartmess
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

View reactions leading to H4Si+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)11.00 ± 0.02eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)152.9kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity146.6kcal/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
11.2 ± 0.1PIShin, Corderman, et al., 1990LL
11.00 ± 0.02PIBerkowitz, Greene, et al., 1987LBLHLM
11.7PEPotzinger, Ritter, et al., 1975LLK
11.60PEPotts and Price, 1972LLK
11.66PEPullen, Carlson, et al., 1970RDSH
12.3PERoberge, Sandorfy, et al., 1978Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
HSi+13.8 ± 0.4H2+HPIBorlin, Heinis, et al., 1986LBLHLM
HSi+15. ± 1.H2+HEIChatham, Hils, et al., 1984LBLHLM
HSi+14.7?EIMorrison and Traeger, 1973LLK
SiH+15.3 ± 0.3?EIPotzinger and Lampe, 1969RDSH
SiH+16.1 ± 0.2?EISaalfeld and Svec, 1963RDSH
H2Si+11.52 ± 0.03H2PIShin, Corderman, et al., 1990LL
H2Si+11.54 ± 0.01H2PIBerkowitz, Greene, et al., 1987LBLHLM
H2Si+11.05 ± 0.05H2PIBorlin, Heinis, et al., 1986LBLHLM
H2Si+11.67 ± 0.04H2PIDing, Cassidy, et al., 1985LBLHLM
H2Si+11.6 ± 0.4H2EIChatham, Hils, et al., 1984LBLHLM
H2Si+11.9 ± 0.1H2EIPotzinger, Ritter, et al., 1975LLK
H2Si+11.8H2EIMorrison and Traeger, 1973LLK
H2Si+16.22H?EIMorrison and Traeger, 1973LLK
SiH2+11.90 ± 0.02H2EIPotzinger and Lampe, 1969RDSH
SiH2+11.91 ± 0.02H2EISteele, Nichols, et al., 1962RDSH
H3Si+12.10HDERShin, Corderman, et al., 1990LL
H3Si+<=12.086 ± 0.020HPIBerkowitz, Greene, et al., 1987LBLHLM
H3Si+12.10 ± 0.05HPIBorlin, Heinis, et al., 1986LBLHLM
H3Si+12.23 ± 0.02HPIDing, Cassidy, et al., 1985LBLHLM
H3Si+12.2 ± 0.4HEIChatham, Hils, et al., 1984LBLHLM
H3Si+12.3 ± 0.1HEIPotzinger, Ritter, et al., 1975LLK
H3Si+12.2HEIMorrison and Traeger, 1973LLK
SiH3+12.30 ± 0.03HEIPotzinger and Lampe, 1969RDSH
SiH3+11.81 ± 0.09HEISaalfeld and Svec, 1966RDSH
SiH3+11.8 ± 0.2HEISaalfeld and Svec, 1963RDSH
SiH3+12.40 ± 0.02HEISteele, Nichols, et al., 1962RDSH
Si+12.65 ± 0.10H2+2HPIBorlin, Heinis, et al., 1986LBLHLM
Si+14. ± 2.?EIChatham, Hils, et al., 1984LBLHLM
Si+13.3?EIMorrison and Traeger, 1973LLK
Si+13.56 ± 0.08?EIPotzinger and Lampe, 1969RDSH
Si+11.7 ± 0.2?EISaalfeld and Svec, 1963RDSH

De-protonation reactions

H3Si- + Hydrogen cation = Silane

By formula: H3Si- + H+ = H4Si

Quantity Value Units Method Reference Comment
Deltar373.9 ± 2.1kcal/molG+TSGal, Decouzon, et al., 2001gas phase; B
Deltar372.9 ± 2.1kcal/molG+TSWetzel, Salomon, et al., 1989gas phase; value altered from reference due to change in acidity scale; B
Deltar372.80 ± 0.84kcal/molD-EANimlos and Ellison, 1986gas phase; B
Deltar372.0 ± 2.1kcal/molG+TSBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
Deltar373.90kcal/molN/ACheck, Faust, et al., 2001gas phase; MnS-(t); ; «DELTA»S(EA)=5.7; B
Quantity Value Units Method Reference Comment
Deltar365.7 ± 2.0kcal/molIMREGal, Decouzon, et al., 2001gas phase; B
Deltar364.7 ± 2.0kcal/molIMREWetzel, Salomon, et al., 1989gas phase; value altered from reference due to change in acidity scale; B
Deltar364.58 ± 0.94kcal/molH-TSNimlos and Ellison, 1986gas phase; B
Deltar363.8 ± 2.0kcal/molIMREBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
Deltar366.40kcal/molN/ACheck, Faust, et al., 2001gas phase; MnS-(t); ; «DELTA»S(EA)=5.7; B


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]

Shin, Corderman, et al., 1990
Shin, S.K.; Corderman, R.R.; Beauchamp, J.L., Photoionization mass spectrometric studies of the methylsilanes Si(CH3)nH4-n (n = 0-3), Int. J. Mass Spectrom. Ion Processes, 1990, 101, 257. [all data]

Berkowitz, Greene, et al., 1987
Berkowitz, J.; Greene, J.P.; Cho, H.; Ruscic, B., Photoionization mass spectrometric studies of SiHn (n=1-4), J. Chem. Phys., 1987, 86, 1235. [all data]

Potzinger, Ritter, et al., 1975
Potzinger, P.; Ritter, A.; Krause, J., Massenspektrometrische Bestimmung von Bindungsenergien in siliciumorganischen Verbindungen, Z. Naturforsch. A:, 1975, 30, 347. [all data]

Potts and Price, 1972
Potts, A.W.; Price, W.C., The photoelectron spectra of methane, silane germane and stannane, Proc. R. Soc. London A:, 1972, 165. [all data]

Pullen, Carlson, et al., 1970
Pullen, B.P.; Carlson, T.A.; Moddeman, W.E.; Schweitzer, G.K.; Bull, W.E., Photoelectron spectra of methane, silane, germane, methyl fluoride, difluoromethane, and trifluoromethane, J. Chem. Phys., 1970, 53, 768. [all data]

Roberge, Sandorfy, et al., 1978
Roberge, R.; Sandorfy, C.; Matthews, J.I.; Strausz, O.P., The far ultraviolet HeI photoelectron spectra of alkyl and fluorine substituted silane derivatives, J. Chem. Phys., 1978, 69, 5105. [all data]

Borlin, Heinis, et al., 1986
Borlin, K.; Heinis, T.; Jungen, M., Photoionization mass spectrometry of silane, Chem. Phys., 1986, 103, 93. [all data]

Chatham, Hils, et al., 1984
Chatham, H.; Hils, D.; Robertson, R.; Gallagher, A., Total and partial electron collisional ionization cross sections for CH4, C2H6, SiH4, and Si2H6, J. Chem. Phys., 1984, 81, 1770. [all data]

Morrison and Traeger, 1973
Morrison, J.D.; Traeger, J.C., Ionization and dissociation by electron impact. III. CH4 and SiH4, Int. J. Mass Spectrom. Ion Phys., 1973, 11, 289. [all data]

Potzinger and Lampe, 1969
Potzinger, P.; Lampe, F.W., An electron impact study of ionization and dissociation of monosilane and disilane, J. Phys. Chem., 1969, 73, 3912. [all data]

Saalfeld and Svec, 1963
Saalfeld, F.E.; Svec, H.J., The mass spectra of volatile hydrides. I. The monoelemental hydrides of the group IVB and VB elements, Inorg. Chem., 1963, 2, 46. [all data]

Ding, Cassidy, et al., 1985
Ding, A.; Cassidy, R.; Cordis, L.; Lampe, F., The photoionization spectra of effusing and supersonic molecular beams of Mmnosilane, J. Chem. Phys., 1985, 83, 3426. [all data]

Steele, Nichols, et al., 1962
Steele, W.C.; Nichols, L.D.; Stone, F.G.A., The determination of silicon-carbon and silicon-hydrogen bond dissociation energies by electron impact, J. Am. Chem. Soc., 1962, 84, 4441. [all data]

Saalfeld and Svec, 1966
Saalfeld, F.E.; Svec, H.J., Mass spectra of volatile hydrides. IV. Silylgermane, J. Phys. Chem., 1966, 70, 1753. [all data]

Gal, Decouzon, et al., 2001
Gal, J.F.; Decouzon, M.; Maria, P.C.; Gonzalez, A.I.; Mo, O.; Yanez, M.; El Chaouch, S.; Guillemin, J.C., Acidity trends in alpha,beta-unsaturated alkanes, silanes, germanes, and stannanes, J. Am. Chem. Soc., 2001, 123, 26, 6353-6359, https://doi.org/10.1021/ja004079j . [all data]

Wetzel, Salomon, et al., 1989
Wetzel, D.M.; Salomon, K.E.; Berger, S.; Brauman, J.I., Gas-Phase Acidities of Organosilanes and Electron Affinities of Organosilyl Radicals, J. Am. Chem. Soc., 1989, 111, 11, 3835, https://doi.org/10.1021/ja00193a013 . [all data]

Nimlos and Ellison, 1986
Nimlos, M.R.; Ellison, G.B., Photoelectron spectroscopy of SiH3- and SiD3-, J. Am. Chem. Soc., 1986, 108, 6522. [all data]

Bartmess, Scott, et al., 1979
Bartmess, J.E.; Scott, J.A.; McIver, R.T., Jr., The gas phase acidity scale from methanol to phenol, J. Am. Chem. Soc., 1979, 101, 6047. [all data]

Check, Faust, et al., 2001
Check, C.E.; Faust, T.O.; Bailey, J.M.; Wright, B.J.; Gilbert, T.M.; Sunderlin, L.S., Addition of Polarization and Diffuse Functions to the LANL2DZ Basis Set for P-Block Elements, J. Phys. Chem. A,, 2001, 105, 34, 8111, https://doi.org/10.1021/jp011945l . [all data]


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