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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:
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 H3N+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)10.070 ± 0.020eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)853.6kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity819.0kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
10.02PIQi, Sheng, et al., 1995T = 0K; LL
10.07 ± 0.01PIPECORuede, Troxler, et al., 1993LL
10.186TEReiser, Habenicht, et al., 1993LL
10.069 ± 0.002PILocht, Hottmann, et al., 1992LL
10.072 ± 0.010PILocht, Leyh, et al., 1991LL
10.2985 ± 0.0001TEHabenicht, 1989LL
10.45EIBaldwin, Loudon, et al., 1977LLK
10.2PEDebies and Rabalais, 1975LLK
10.18 ± 0.09PEAue, Webb, et al., 1975LLK
10.2EIMorrison and Traeger, 1973LLK
10.15PEPotts and Price, 1972LLK
10.18 ± 0.01PEWeiss and Lawrence, 1970RDSH
14.94 ± 0.03PEWeiss and Lawrence, 1970RDSH
10.14PEBranton, Frost, et al., 1969RDSH
14.92PEBranton, Frost, et al., 1969RDSH
10.16 ± 0.02PIPotapov, 1968RDSH
10.17PIChupka and Russell, 1968RDSH
10.162 ± 0.008PIDibeler, Walker, et al., 1966RDSH
10.166SWatanabe and Sood, 1965RDSH
10.16PEAl-Joboury and Turner, 1964RDSH
15.02PEAl-Joboury and Turner, 1964RDSH
10.15 ± 0.01PIWatanabe and Mottl, 1957RDSH
10.82PEBaumgartel, Jochims, et al., 1989Vertical value; LL
10.8PEBieri, Asbrink, et al., 1982Vertical value; LBLHLM
10.85PEKimura, Katsumata, et al., 1981Vertical value; LLK
11.3PECampbell, Liesegang, et al., 1979Vertical value; LLK
10.85PEDaamen and Oskam, 1978Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
H+18.57H2NPIQi, Sheng, et al., 1995LL
HN+28. ± 1.5H2/2HEIMuller and Schulz, 1990LL
HN+16.9 ± 0.1H2EILocht, Servais, et al., 1988LL
HN+17.2H2EIMorrison and Traeger, 1973LLK
NH+17.1 ± 0.1H2EIReed and Snedden, 1959RDSH
H2N+15.75HPIQi, Sheng, et al., 1995LL
H2N+15.60 ± 0.02HPIPECORuede, Troxler, et al., 1993LL
H2N+15.75HPILocht, Hottmann, et al., 1992LL
H2N+15.76 ± 0.05HPILocht, Servais, et al., 1988LL
H2N+15.76 ± 0.05HEILocht, Servais, et al., 1988LL
H2N+15.5HPIPECOPowis, 1981LLK
H2N+15.87 ± 0.13HDERPowis, 1981LLK
H2N+15.768 ± 0.004HPIMcCulloh, 1976LLK
H2N+15.0HEIMorrison and Traeger, 1973LLK
NH2+15.73 ± 0.02HPIDibeler, Walker, et al., 1966RDSH
NH2+16.0 ± 0.1HEIFoner and Hudson, 1958RDSH
N+≤22.5H2+HEIMorrison and Traeger, 1973LLK
N+22.6 ± 0.1H2+HEIReed and Snedden, 1959RDSH

De-protonation reactions

H2N- + Hydrogen cation = Ammonia

By formula: H2N- + H+ = H3N

Quantity Value Units Method Reference Comment
Δr1688.0 ± 1.2kJ/molD-EAWickham-Jones, Ervin, et al., 1989gas phase; B
Δr1688.5 ± 3.3kJ/molG+TSMacKay, Hemsworth, et al., 1976gas phase; B
Δr1683.2kJ/molN/ACheck, Faust, et al., 2001gas phase; HCrO3(t); ; ΔS(EA)=6.6; B
Quantity Value Units Method Reference Comment
Δr1656.8 ± 1.6kJ/molH-TSWickham-Jones, Ervin, et al., 1989gas phase; B
Δr1657.3 ± 2.9kJ/molIMREMacKay, Hemsworth, et al., 1976gas phase; B
Δr1654.4kJ/molN/ACheck, Faust, et al., 2001gas phase; HCrO3(t); ; ΔS(EA)=6.6; 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, . [all data]

Qi, Sheng, et al., 1995
Qi, F.; Sheng, L.; Zhang, Y.; Yu, S.; Li, W.-K., Experimental and theoretical study of the dissociation energies DO(H2N-H) and DO(H2N+-H) and other related quantities, Chem. Phys. Lett., 1995, 234, 450. [all data]

Ruede, Troxler, et al., 1993
Ruede, R.; Troxler, H.; Beglinger, C.; Jungen, M., The dissociation energies of the positive ions NH3+, NF3+, PH3+, PF3+ and PCl3+, Chem. Phys. Lett., 1993, 203, 477. [all data]

Reiser, Habenicht, et al., 1993
Reiser, G.; Habenicht, W.; Muller-Dethlefs, K., Zero kinetic energy (ZEKE) photoelectron spectroscopy of ammonia by nonresonant two-photon ionization from the neutral ground state, J. Chem. Phys., 1993, 98, 8462. [all data]

Locht, Hottmann, et al., 1992
Locht, R.; Hottmann, K.; Hagenow, G.; Denzer, W.; Baumgartel, H., The threhold-photoelectron spectrum of NH3, Chem. Phys. Lett., 1992, 190, 124. [all data]

Locht, Leyh, et al., 1991
Locht, R.; Leyh, B.; Denzer, W.; Hagenow, G.; Baumgartel, H., The photoionization of ammonia revisited. The vibrational autoionization of NH3 and its three isotopomers in the 10-12 eV photon energy range, Chem. Phys., 1991, 155, 407. [all data]

Habenicht, 1989
Habenicht, W., [Title unavailable], Ph.D. Thesis, Technische Universitat Munchen, 1989. [all data]

Baldwin, Loudon, et al., 1977
Baldwin, M.A.; Loudon, A.G.; Webb, K.S.; Cardnell, P.C., Charge location and fragmentation under electron impact. V-The ionization potentials of (methylated) phosphoramides, guanidines, formamides, acetamides, ureas and thioureas, Org. Mass Spectrom., 1977, 12, 279. [all data]

Debies and Rabalais, 1975
Debies, T.P.; Rabalais, J.W., Calculated photoionization cross-sections and angular distributions for the isoelectronic series Ne, HF, H2O, NH3, and CH4, J. Am. Chem. Soc., 1975, 97, 487. [all data]

Aue, Webb, et al., 1975
Aue, D.H.; Webb, H.M.; Bowers, M.T., Photoelectron spectrum and gas-phase basicity of manxine. Evidence for a planar bridgehead nitrogen, J. Am. Chem. Soc., 1975, 97, 4136. [all data]

Morrison and Traeger, 1973
Morrison, J.D.; Traeger, J.C., Ionization and dissociation by electron impact. II. NH3 and PH3, Int. J. Mass Spectrom. Ion Phys., 1973, 11, 277. [all data]

Potts and Price, 1972
Potts, A.W.; Price, W.C., Photoelectron spectra and valence shell orbital structures of groups V VI hydrides, Proc. R. Soc. London A:, 1972, 326, 181. [all data]

Weiss and Lawrence, 1970
Weiss, M.J.; Lawrence, G.M., Photoelectron spectroscopy of NH3 and ND3 using molecular beams, J. Chem. Phys., 1970, 53, 214. [all data]

Branton, Frost, et al., 1969
Branton, G.R.; Frost, D.C.; Herring, F.G.; McDowell, C.A.; Stenhouse, I.A., The ionization potentials of ammonia and ammonia-d3, measured by photoelectron spectroscopy, and an INDO calculation of these values, Chem. Phys. Lett., 1969, 3, 581. [all data]

Potapov, 1968
Potapov, V.K., Mechanism of ionic-molecular reactions, Dokl. Akad. Nauk SSSR, 1968, 183, 386, In original 843. [all data]

Chupka and Russell, 1968
Chupka, W.A.; Russell, M.E., Ion-molecule reactions of NH3+ by photoionization, J. Chem. Phys., 1968, 48, 1527. [all data]

Dibeler, Walker, et al., 1966
Dibeler, V.H.; Walker, J.A.; Rosenstock, H.M., Mass spectrometric study of photoionization. V.Water and ammonia, J.Res. NBS, 1966, 70A, 459. [all data]

Watanabe and Sood, 1965
Watanabe, K.; Sood, S.P., Absorption and photoionization coefficients of NH3 in the 580-1650 A region, Sci. Light (Tokyo), 1965, 14, 36. [all data]

Al-Joboury and Turner, 1964
Al-Joboury, M.I.; Turner, D.W., Molecular photoelectron spectroscopy. Part II. A summary of ionization potentials, J. Chem. Soc., 1964, 4434. [all data]

Watanabe and Mottl, 1957
Watanabe, K.; Mottl, J.R., Ionization potentials of ammonia and some amines, J. Chem. Phys., 1957, 26, 1773. [all data]

Baumgartel, Jochims, et al., 1989
Baumgartel, H.; Jochims, H.-W.; Ruhl, E.; Bock, H.; Dammel, R.; Minkwitz, J.; Nass, R., Photoelectron and photoionization mass spectra of the fluoramines NH3-nFn1, Inorg. Chem., 1989, 28, 943. [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]

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]

Campbell, Liesegang, et al., 1979
Campbell, M.J.; Liesegang, J.; Riley, J.D.; Leckey, R.C.G.; Jenkin, J.G.; Poole, R.T., The electronic structure of the valence bands of solid NH3 and H2O studied by ultraviolet photoelectron spectroscopy, J. Electron Spectrosc. Relat. Phenom., 1979, 15, 83. [all data]

Daamen and Oskam, 1978
Daamen, H.; Oskam, A., Bonding properties of some monosubstituted chromium and tungsten hexacarbonyls M(CO)5L (L=amine, substituted pyridine, azine), Inorg. Chim. Acta, 1978, 26, 81. [all data]

Muller and Schulz, 1990
Muller, U.; Schulz, G., Electron-impact dissociation of ammonia; formation of NH+ ions in excited states, Chem. Phys. Lett., 1990, 170, 401. [all data]

Locht, Servais, et al., 1988
Locht, R.; Servais, C.; Ligot, M.; Derwa, F.; Momigny, J., The dissociative electroionization of ammonia and ammonia-d3. I. The NH+ and NH2+ dissociation channels, Chem. Phys., 1988, 123, 443. [all data]

Reed and Snedden, 1959
Reed, R.I.; Snedden, W., The ionisation potential of NH, J. Chem. Soc., 1959, 4132. [all data]

Powis, 1981
Powis, I., Influence of angular momentum in the dissociation of NH3+, J. Chem. Soc. Faraday Trans. 2, 1981, 77, 1433. [all data]

McCulloh, 1976
McCulloh, K.E., Energetics and mechanisms of fragment ion formation in the photoionization of normal and deuterated water and ammonia, Int. J. Mass Spectrom. Ion Phys., 1976, 21, 333. [all data]

Foner and Hudson, 1958
Foner, S.N.; Hudson, R.L., Mass spectrometric detection of triazene and tetrazene and studies of the free radicals NH2, and N2H3, J. Chem. Phys., 1958, 29, 442. [all data]

Wickham-Jones, Ervin, et al., 1989
Wickham-Jones, C.T.; Ervin, K.M.; Ellison, G.B.; Lineberger, W.C., NH2 Electron Affinity, J. Chem. Phys., 1989, 91, 4, 2762, . [all data]

MacKay, Hemsworth, et al., 1976
MacKay, G.J.; Hemsworth, R.S.; Bohme, D.K., Absolute gas-phase acidities of CH3NH2, C2H5NH2, (CH3)2NH, and (CH3)3N, Can. J. Chem., 1976, 54, 1624. [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, . [all data]


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