Ammonia

• Formula: H₃N
• Molecular weight: 17.0305
• IUPAC Standard InChI: InChI=1S/H3N/h1H3 Copy

  
• IUPAC Standard InChIKey: QGZKDVFQNNGYKY-UHFFFAOYSA-N Copy
• CAS Registry Number: 7664-41-7
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
  The 3d structure may be viewed using Java or Javascript.
• Isotopologues:
  • Ammonia-d3
• Other names: Ammonia gas; Nitro-Sil; Spirit of Hartshorn; NH3; Ammonia, anhydrous; Anhydrous ammonia; Aromatic Ammonia, Vaporole
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Reaction thermochemistry data (reactions 1 to 50)
  • Gas phase ion energetics data
  • References
  • Notes
• Other data available:
  • Gas phase thermochemistry data
  • Phase change data
  • Reaction thermochemistry data: reactions 51 to 100, reactions 101 to 146
  • Henry's Law data
  • Ion clustering data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • Vibrational and/or electronic energy levels
  • Gas Chromatography
  • Fluid Properties
• Data at other public NIST sites:
  • Electron-Impact Ionization Cross Sections (on physics web site)
  • Gas Phase Kinetics Database
  • X-ray Photoelectron Spectroscopy Database, version 5.0
• Options:
  • Switch to calorie-based units

Data at NIST subscription sites:

• NIST / TRC Web Thermo Tables, "lite" edition (thermophysical and thermochemical data)
• NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data)

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Reaction thermochemistry data

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

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
B - John E. Bartmess
RCD - Robert C. Dunbar

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Reactions 1 to 50

( • 3) +  = ( • 4)

By formula: (H₄N⁺ • 3H₃N) + H₃N = (H₄N⁺ • 4H₃N)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

( • 2) +  = ( • 3)

By formula: (H₄N⁺ • 2H₃N) + H₃N = (H₄N⁺ • 3H₃N)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

( • ) +  = ( • 2)

By formula: (H₄N⁺ • H₃N) + H₃N = (H₄N⁺ • 2H₃N)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

 +  = ( • )

By formula: H₄N⁺ + H₃N = (H₄N⁺ • H₃N)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

 +  = ( • )

By formula: Cl^- + H₃N = (Cl^- • H₃N)

Bond type: Hydrogen bond (negative ion to hydride)

( • 4) +  = ( • 5)

By formula: (H₄N⁺ • 4H₃N) + H₃N = (H₄N⁺ • 5H₃N)

Bond type: Hydrogen bond (positive ion to hydride)

 +  = ( • )

By formula: Li⁺ + H₃N = (Li⁺ • H₃N)

( • ) +  = ( • 2)

By formula: (Na⁺ • H₃N) + H₃N = (Na⁺ • 2H₃N)

H₂N^- +  =

By formula: H₂N^- + H⁺ = H₃N

C₄H₉⁺ +  = (C₄H₉⁺ • )

By formula: C₄H₉⁺ + H₃N = (C₄H₉⁺ • H₃N)

 +  = ( • )

By formula: Na⁺ + H₃N = (Na⁺ • H₃N)

Free energy of reaction

C₃H₉Sn⁺ +  = (C₃H₉Sn⁺ • )

By formula: C₃H₉Sn⁺ + H₃N = (C₃H₉Sn⁺ • H₃N)

Free energy of reaction

( • 3 • ) +  = ( • 4 • )

By formula: (H₄N⁺ • 3CHN • H₃N) + CHN = (H₄N⁺ • 4CHN • H₃N)

Free energy of reaction

 +  = ( • )

By formula: I^- + H₃N = (I^- • H₃N)

Bond type: Hydrogen bond (negative ion to hydride)

( •  • 2) +  = ( • 2 • 2)

By formula: (H₄N⁺ • H₃N • 2CHN) + H₃N = (H₄N⁺ • 2H₃N • 2CHN)

Free energy of reaction

( •  • 2) +  = ( • 2 • 2)

By formula: (H₄N⁺ • CHN • 2H₃N) + CHN = (H₄N⁺ • 2CHN • 2H₃N)

Free energy of reaction

( • ) +  = ( •  • )

By formula: (H₄N⁺ • CHN) + H₃N = (H₄N⁺ • H₃N • CHN)

Free energy of reaction

 +  = ( • )

By formula: Br^- + H₃N = (Br^- • H₃N)

Bond type: Hydrogen bond (negative ion to hydride)

( • 5) +  = ( • 6)

By formula: (H₄N⁺ • 5H₃N) + H₃N = (H₄N⁺ • 6H₃N)

Bond type: Hydrogen bond (positive ion to hydride)

 +  = ( • )

By formula: K⁺ + H₃N = (K⁺ • H₃N)

( • 2) +  = ( •  • 2)

By formula: (H₄N⁺ • 2H₃N) + CHN = (H₄N⁺ • CHN • 2H₃N)

( •  • 2) +  = ( • 2 • 2)

By formula: (H₄N⁺ • H₃N • 2H₂O) + H₃N = (H₄N⁺ • 2H₃N • 2H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

( •  • 2) +  = ( • 2 • 2)

By formula: (H₄N⁺ • H₂O • 2H₃N) + H₂O = (H₄N⁺ • 2H₂O • 2H₃N)

Bond type: Hydrogen bond (positive ion to hydride)

(C₆H₁₅O₃⁺ • ) +  = (C₆H₁₅O₃⁺ •  • )

By formula: (C₆H₁₅O₃⁺ • H₃N) + C₆H₁₄O₃ = (C₆H₁₅O₃⁺ • C₆H₁₄O₃ • H₃N)

Bond type: Hydrogen bonds between protonated and neutral organics

( • 2 • ) +  = ( • 3 • )

By formula: (H₄N⁺ • 2H₃N • H₂O) + H₃N = (H₄N⁺ • 3H₃N • H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

( • 2 • ) +  = ( • 3 • )

By formula: (H₄N⁺ • 2H₂O • H₃N) + H₂O = (H₄N⁺ • 3H₂O • H₃N)

Bond type: Hydrogen bond (positive ion to hydride)

( •  • ) +  = ( • 2 • )

By formula: (H₄N⁺ • H₃N • H₂O) + H₃N = (H₄N⁺ • 2H₃N • H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

( •  • ) +  = ( • 2 • )

By formula: (H₄N⁺ • H₂O • H₃N) + H₂O = (H₄N⁺ • 2H₂O • H₃N)

Bond type: Hydrogen bond (positive ion to hydride)

( • 2) +  = ( •  • 2)

By formula: (H₄N⁺ • 2H₃N) + H₂O = (H₄N⁺ • H₂O • 2H₃N)

Bond type: Hydrogen bond (positive ion to hydride)

( • 2) +  = ( •  • 2)

By formula: (H₄N⁺ • 2H₂O) + H₃N = (H₄N⁺ • H₃N • 2H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

( • 3) +  = ( •  • 3)

By formula: (H₄N⁺ • 3H₃N) + H₂O = (H₄N⁺ • H₂O • 3H₃N)

Bond type: Hydrogen bond (positive ion to hydride)

( • 3) +  = ( •  • 3)

By formula: (H₄N⁺ • 3H₂O) + H₃N = (H₄N⁺ • H₃N • 3H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

( • ) +  = ( •  • )

By formula: (H₄N⁺ • H₃N) + H₂O = (H₄N⁺ • H₂O • H₃N)

Bond type: Hydrogen bond (positive ion to hydride)

( • ) +  = ( •  • )

By formula: (H₄N⁺ • H₂O) + H₃N = (H₄N⁺ • H₃N • H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

( • ) +  = ( •  • )

By formula: (H₄N⁺ • C₄H₁₀O₂) + H₃N = (H₄N⁺ • H₃N • C₄H₁₀O₂)

Bond type: Hydrogen bond (positive ion to hydride)

 +  = ( • )

By formula: H^- + H₃N = (H^- • H₃N)

( • 2) +  = ( • 3)

By formula: (Cu⁺ • 2H₃N) + H₃N = (Cu⁺ • 3H₃N)

( • 3) +  = ( • 4)

By formula: (Cu⁺ • 3H₃N) + H₃N = (Cu⁺ • 4H₃N)

( • 2) +  = ( • 3)

By formula: (Pb⁺ • 2H₃N) + H₃N = (Pb⁺ • 3H₃N)

( • 3) +  = ( • 4)

By formula: (Pb⁺ • 3H₃N) + H₃N = (Pb⁺ • 4H₃N)

( • ) +  = ( • 2)

By formula: (Pb⁺ • H₃N) + H₃N = (Pb⁺ • 2H₃N)

C₂H₈N⁺ +  = (C₂H₈N⁺ • )

By formula: C₂H₈N⁺ + H₃N = (C₂H₈N⁺ • H₃N)

Bond type: Hydrogen bond (positive ion to hydride)

C₆H₁₅O₃⁺ +  = (C₆H₁₅O₃⁺ • )

By formula: C₆H₁₅O₃⁺ + H₃N = (C₆H₁₅O₃⁺ • H₃N)

Bond type: Hydrogen bond (positive ion to hydride)

CH₆N⁺ +  = (CH₆N⁺ • )

By formula: CH₆N⁺ + H₃N = (CH₆N⁺ • H₃N)

Bond type: Hydrogen bond (positive ion to hydride)

 +  = ( • )

By formula: Pb⁺ + H₃N = (Pb⁺ • H₃N)

( • ) +  = ( • 2)

By formula: (H^- • H₃N) + H₃N = (H^- • 2H₃N)

(H₂N^- • ) +  = (H₂N^- • 2)

By formula: (H₂N^- • H₃N) + H₃N = (H₂N^- • 2H₃N)

( • 2 • ) +  = ( • 3 • )

By formula: (H₄N⁺ • 2CHN • H₃N) + CHN = (H₄N⁺ • 3CHN • H₃N)

( •  • ) +  = ( • 2 • )

By formula: (H₄N⁺ • CHN • H₃N) + CHN = (H₄N⁺ • 2CHN • H₃N)

( • 2 • ) +  = ( • 3 • )

By formula: (H₄N⁺ • 2H₃N • C₂H₃N) + H₃N = (H₄N⁺ • 3H₃N • C₂H₃N)

Bond type: Hydrogen bond (positive ion to hydride)

Gas phase ion energetics data

Go To: Top, Reaction thermochemistry data, 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)

Ionization energy determinations

Appearance energy determinations

De-protonation reactions

H₂N^- +  =

By formula: H₂N^- + H⁺ = H₃N

References

Go To: Top, Reaction thermochemistry data, 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.

Fehsenfeld and Ferguson, 1973
Fehsenfeld, F.C.; Ferguson, E.E., Thermal Energy Positive Ion Reactions in a Wet Atmosphere Containing Ammonia, J. Chem. Phys., 1973, 59, 12, 6272, https://doi.org/10.1063/1.1680006 . [all data]

Puckett and Teague, 1971
Puckett, L.J.; Teague, M.W., Ion-Molecule Reactions in NO - NH3 Gas Mixtures, J. Chem. Phys., 1971, 54, 11, 4860, https://doi.org/10.1063/1.1674763 . [all data]

Tang and Castleman, 1975
Tang, I.N.; Castleman, A.W., Gas - Phase Solvation of the Ammonium Ion in Ammonia, J. Chem. Phys., 1975, 62, 11, 4576, https://doi.org/10.1063/1.430331 . [all data]

Arshadi and Futrell, 1974
Arshadi, M.R.; Futrell, J.H., Studies in High - Pressure Mass Spectrometry. V. Thermodynamics of Solvation Reactions. NH4+ - NH3, J. Phys. Chem., 1974, 78, 15, 1482, https://doi.org/10.1021/j100608a008 . [all data]

Long and Franklin, 1973
Long, J.W.; Franklin, J.L., Ion-Cluster Reactions in a Drift Tube Ion Source, Int. J. Mass Spectrom. Ion Phys, 1973, 12, 5, 403, https://doi.org/10.1016/0020-7381(73)80025-7 . [all data]

Searles and Kebarle, 1968
Searles, S.K.; Kebarle, P., Ion-Solvent-Molecule Interactions in the Gas Phase. Enthalpies and Entropies for the Reactions NH4+(NH3)(n-1) + NH3 = NH4+(NH3)n, J. Phys. Chem., 1968, 72, 2, 742, https://doi.org/10.1021/j100848a061 . [all data]

Payzant, Cunningham, et al., 1973
Payzant, J.D.; Cunningham, A.J.; Kebarle, P., Gas - Phase Solvation of Ammonium Ion by NH3 and H2O and Stabilities of Mixed Clusters NH4+(NH3)n(H2O)w, Can. J. Chem., 1973, 51, 19, 3242, https://doi.org/10.1139/v73-485 . [all data]

Wincel, 1972
Wincel, H., Ion-Molecule Reactions in Ammonia at High Pressures, Int. J. Mass Spectrom. Ion Phys., 1972, 9, 3, 267, https://doi.org/10.1016/0020-7381(72)80053-6 . [all data]

Tschurl and Boesl, 2008
Tschurl, M.; Boesl, U., IR-photodissociation and photodetachment spectroscopy of Cl-center dot(NH3)(x) (IR : x=1-4, PD : x=1), Chem. Phys. Lett., 2008, 456, 4-6, 150-155, https://doi.org/10.1016/j.cplett.2008.03.041 . [all data]

Evans, Keesee, et al., 1987
Evans, D.H.; Keesee, R.G.; Castleman Jr., The Association of Ammonia with Halide Ions in the Gas Phase, J. Chem. Phys., 1987, 86, 5, 2927, https://doi.org/10.1063/1.452043 . [all data]

Markovich, Chesnovsky, et al., 1993
Markovich, G.; Chesnovsky, O.; Kaldor, U., Charge Transfer Excitations in the Photoelectron Spectrum of Cl-NH3: Experiment and calculation, J. Chem. Phys, 1993, https://doi.org/10.1063/1.465913 . [all data]

Larson and McMahon, 1984
Larson, J.W.; McMahon, T.B., Hydrogen bonding in gas phase anions. An experimental investigation of the interaction between chloride ion and bronsted acids from ICR chloride exchange equilibria, J. Am. Chem. Soc., 1984, 106, 517. [all data]

Larson and McMahon, 1984, 2
Larson, J.W.; McMahon, T.B., Gas phase negative ion chemistry of alkylchloroformates, Can. J. Chem., 1984, 62, 675. [all data]

Wei, Tzeng, et al., 1990
Wei, S.; Tzeng, W.B.; Castleman, A.W., Kinetic Energy Release Measurements of Ammonia Cluster Ions During Metastable Decomposition and Determination of Cluster Ion Binding Energies, J. Chem. Phys., 1990, 92, 1, 332, https://doi.org/10.1063/1.458434 . [all data]

Kamke, Herrmann, et al., 1988
Kamke, W.; Herrmann, R.; Wang, Z.; Hertel, I.V., On the Photoionization and Fragmentation of Ammonia Clusters using TPEPICO, Z. Phys. D., 1988, 10, 4, 491, https://doi.org/10.1007/BF01425768 . [all data]

Hogg, Haynes, et al., 1966
Hogg, A.M.; Haynes, R.M.; Kebarle, P., Ion-Solvent Molecule Interactions Studied in the Gas Phase. Heats and Entropies of Individual Steps. NH4+.(n-1)NH3 = NH4+.nNH3, J. Am. Chem. Soc., 1966, 88, 1, 28, https://doi.org/10.1021/ja00953a006 . [all data]

Woodin and Beauchamp, 1978
Woodin, R.L.; Beauchamp, J.L., Bonding of Li+ to Lewis Bases in the Gas Phase. Reversals in Methyl Substituent Effects for Different Reference Acids, J. Am. Chem. Soc., 1978, 100, 2, 501, https://doi.org/10.1021/ja00470a024 . [all data]

Dzidic and Kebarle, 1970
Dzidic, I.; Kebarle, P., Hydration of the Alkali Ions in the Gas Phase. Enthalpies and Entropies of Reactions M+(H2O)n-1 + H2O = M+(H2O)n, J. Phys. Chem., 1970, 74, 7, 1466, https://doi.org/10.1021/j100702a013 . [all data]

Staley and Beauchamp, 1975
Staley, R.H.; Beauchamp, J.L., Intrinsic Acid - Base Properties of Molecules. Binding Energies of Li+ to pi - and n - Donor Bases, J. Am. Chem. Soc., 1975, 97, 20, 5920, https://doi.org/10.1021/ja00853a050 . [all data]

Castleman, Holland, et al., 1978
Castleman, A.W.; Holland, P.M.; Lindsay, D.M.; Peterson, K.I., The Properties of Clusters in the Gas Phase. 2. Ammonia about Metal Ions, J. Am. Chem. Soc., 1978, 100, 19, 6039, https://doi.org/10.1021/ja00487a011 . [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]

Meot-Ner (Mautner) and Sieck, 1991
Meot-Ner (Mautner), M.; Sieck, L.W., Proton affinity ladders from variable-temperature equilibrium measurements. 1. A reevaluation of the upper proton affinity range, J. Am. Chem. Soc., 1991, 113, 12, 4448, https://doi.org/10.1021/ja00012a012 . [all data]

Szulejko and McMahon, 1991
Szulejko, J.E.; McMahon, T.B., A Pulsed Electron Beam, Variable Temperature, High Pressure Mass Spectrometric Reevaluation of the Proton Affinity Difference Between 2-Methylpropene and Ammonia, Int. J. Mass Spectrom. Ion Proc., 1991, 109, 279, https://doi.org/10.1016/0168-1176(91)85109-Y . [all data]

Meot-Ner (Mautner) and Sieck, 1990
Meot-Ner (Mautner), M.; Sieck, L.W., Ion Thermochemistry at High Temperatures. 1. Thermochemistry of the Ammonium Ion from Variable - Temperature Equilibrium Measurements. Proton Transfer, Association, and Decomposition Reactions in Ammonia, Isobutene, and t-Butylamine, J. Phys. Chem., 1990, 94, 19, 7730, https://doi.org/10.1021/j100382a076 . [all data]

Amicangelo and Armentrout, 2001
Amicangelo, J.C.; Armentrout, P.B., Relative and Absolute Bond Dissociation Energies of Sodium Cation Complexes Determined Using Competitive Collision-Induced Dissociation Experiments, Int. J. Mass Spectrom., 2001, 212, 1-3, 301, https://doi.org/10.1016/S1387-3806(01)00494-8 . [all data]

Armentrout and Rodgers, 2000
Armentrout, P.B.; Rodgers, M.T., An Absolute Sodium Cation Affinity Scale: Threshold Collision-Induced Dissociation Experiments and ab Initio Theory, J. Phys. Chem A, 2000, 104, 11, 2238, https://doi.org/10.1021/jp991716n . [all data]

Hoyau, Norrman, et al., 1999
Hoyau, S.; Norrman, K.; McMahon, T.B.; Ohanessian, G., A Quantitative Basis for a Scale of Na+ Affinities of Organic and Small Biological Molecules in the Gas Phase, J. Am. Chem. Soc., 1999, 121, 38, 8864, https://doi.org/10.1021/ja9841198 . [all data]

McMahon and Ohanessian, 2000
McMahon, T.B.; Ohanessian, G., An Experimental and Ab Initio Study of the Nature of the Binding in Gas-Phase Complexes of Sodium Ions, Chem. Eur. J., 2000, 6, 16, 2931, https://doi.org/10.1002/1521-3765(20000818)6:16<2931::AID-CHEM2931>3.0.CO;2-7 . [all data]

Stone and Splinter, 1984
Stone, J.A.; Splinter, D.E., A high-pressure mass spectrometric study of the binding of (CH₃)₃Sn⁺ to lewis bases in the gas phase, Int. J. Mass Spectrom. Ion Processes, 1984, 59, 169. [all data]

Deakyne, Knuth, et al., 1994
Deakyne, C.A.; Knuth, D.M.; Speller, C.V.; Meot-Ner (Mautner), M.; Sieck, L.W., Filling of Solvent Shells about Ions. Part 3. Isomeric Clusters of (HCN)n(NH3)mH+, J. Mol. Structure (Theochem), 1994, 307, 217, https://doi.org/10.1016/0166-1280(94)80130-4 . [all data]

Caldwell, Masucci, et al., 1989
Caldwell, G.W.; Masucci, J.A.; Ikonomou, M.G., Negative Ion Chemical Ionization Mass Spectrometry - Binding of Molecules to Bromide and Iodide Anions, Org. Mass Spectrom., 1989, 24, 1, 8, https://doi.org/10.1002/oms.1210240103 . [all data]

Castleman, 1978
Castleman, A.W., The Properties of Clusters in the Gas Phase: Ammonia about Bi+, Rb+, and K+, Chem. Phys. Lett., 1978, 53, 3, 560, https://doi.org/10.1016/0009-2614(78)80069-4 . [all data]

Davidson and Kebarle, 1976
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Notes

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

• Symbols used in this document:
  

  AE	Appearance energy
  IE (evaluated)	Recommended ionization energy
  T	Temperature
  ΔrG°	Free energy of reaction at standard conditions
  ΔrH°	Enthalpy of reaction at standard conditions
  ΔrS°	Entropy of reaction at standard conditions

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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