Home Symbol which looks like a small house Up Solid circle with an upward pointer in it

Ammonia

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 - E.P. Hunter and S.G. Lias
L - S.G. Lias

Data compiled as indicated in comments:
B - J.E. Bartmess
LL - S.G. Lias and J.F. Liebman
LBLHLM - S.G. Lias, J.E. Bartmess, J.F. Liebman, J.L. Holmes, R.D. Levin, and W.G. Mallard
LLK - S.G. Lias, R.D. Levin, and S.A. Kafafi
RDSH - H.M. Rosenstock, K. Draxl, B.W. Steiner, and J.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
Deltar1688.0 ± 1.2kJ/molD-EAWickham-Jones, Ervin, et al., 1989gas phase; B
Deltar1688.5 ± 3.3kJ/molG+TSMacKay, Hemsworth, et al., 1976gas phase; B
Deltar1683.2kJ/molN/ACheck, Faust, et al., 2001gas phase; HCrO3(t); ; «DELTA»S(EA)=6.6; B
Quantity Value Units Method Reference Comment
Deltar1656.8 ± 1.6kJ/molH-TSWickham-Jones, Ervin, et al., 1989gas phase; B
Deltar1657.3 ± 2.9kJ/molIMREMacKay, Hemsworth, et al., 1976gas phase; B
Deltar1654.4kJ/molN/ACheck, Faust, et al., 2001gas phase; HCrO3(t); ; «DELTA»S(EA)=6.6; B

References

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]

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, https://doi.org/10.1063/1.456994 . [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, https://doi.org/10.1021/jp011945l . [all data]


Notes

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