Ammonia

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Reaction thermochemistry data

Go To: Top, Gas phase ion energetics data, Vibrational and/or electronic energy levels, Gas Chromatography, 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

(NH4+ • 3Ammonia) + Ammonia = (NH4+ • 4Ammonia)

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

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr12.2 ± 0.9kcal/molAVGN/AAverage of 5 out of 10 values; Individual data points
Quantity Value Units Method Reference Comment
Δr28. ± 2.cal/mol*KAVGN/AAverage of 3 out of 7 values; Individual data points

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
3.4296.FAFehsenfeld and Ferguson, 1973gas phase; M

(NH4+ • 2Ammonia) + Ammonia = (NH4+ • 3Ammonia)

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

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr13. ± 5.kcal/molAVGN/AAverage of 6 out of 9 values; Individual data points
Quantity Value Units Method Reference Comment
Δr25. ± 1.cal/mol*KAVGN/AAverage of 4 out of 7 values; Individual data points

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
6.5296.FAFehsenfeld and Ferguson, 1973gas phase; M
6.4296.SAMSPuckett and Teague, 1971gas phase; M

(NH4+ • Ammonia) + Ammonia = (NH4+ • 2Ammonia)

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

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr17. ± 1.kcal/molAVGN/AAverage of 5 out of 8 values; Individual data points
Quantity Value Units Method Reference Comment
Δr23.9cal/mol*KHPMSTang and Castleman, 1975gas phase; M
Δr23.7cal/mol*KPHPMSArshadi and Futrell, 1974gas phase; M
Δr24.8cal/mol*KDTLong and Franklin, 1973gas phase; M
Δr26.8cal/mol*KPHPMSSearles and Kebarle, 1968gas phase; M
Δr22.9cal/mol*KPHPMSPayzant, Cunningham, et al., 1973gas phase; typographical error in ΔrH; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
9.7296.FAFehsenfeld and Ferguson, 1973gas phase; DG>; M
10.1296.SAMSPuckett and Teague, 1971gas phase; M
5.5400.HPMSWincel, 1972gas phase; M

NH4+ + Ammonia = (NH4+ • Ammonia)

By formula: H4N+ + H3N = (H4N+ • H3N)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr26. ± 2.kcal/molAVGN/AAverage of 4 out of 9 values; Individual data points
Quantity Value Units Method Reference Comment
Δr26. ± 3.cal/mol*KAVGN/AAverage of 4 out of 6 values; Individual data points

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
6.3400.HPMSWincel, 1972gas phase; M

Chlorine anion + Ammonia = (Chlorine anion • Ammonia)

By formula: Cl- + H3N = (Cl- • H3N)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr<7.30 ± 0.40kcal/molN/ATschurl and Boesl, 2008gas phase; B
Δr8.20 ± 0.10kcal/molTDAsEvans, Keesee, et al., 1987gas phase; B,M
Δr8.9 ± 1.2kcal/molN/AMarkovich, Chesnovsky, et al., 1993gas phase; B
Δr10.5 ± 4.0kcal/molIMRELarson and McMahon, 1984gas phase; B,M
Quantity Value Units Method Reference Comment
Δr15.4cal/mol*KHPMSEvans, Keesee, et al., 1987gas phase; M
Δr19.9cal/mol*KN/ALarson and McMahon, 1984gas phase; switching reaction(Cl-)CH3F, Entropy change calculated or estimated; Larson and McMahon, 1984, 2; M
Quantity Value Units Method Reference Comment
Δr3.60 ± 0.20kcal/molTDAsEvans, Keesee, et al., 1987gas phase; B
Δr4.5 ± 2.0kcal/molIMRELarson and McMahon, 1984gas phase; B,M

(NH4+ • 4Ammonia) + Ammonia = (NH4+ • 5Ammonia)

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

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr7.0kcal/molPHPMSArshadi and Futrell, 1974gas phase; M
Δr7.5kcal/molPHPMSSearles and Kebarle, 1968gas phase; M
Δr7.kcal/molMKERWei, Tzeng, et al., 1990gas phase; from graph; M
Δr2.8kcal/molTPEPICOKamke, Herrmann, et al., 1988gas phase; M
Δr9.6kcal/molDTLong and Franklin, 1973gas phase; M
Quantity Value Units Method Reference Comment
Δr21.5cal/mol*KPHPMSArshadi and Futrell, 1974gas phase; M
Δr25.cal/mol*KPHPMSSearles and Kebarle, 1968gas phase; M
Δr32.cal/mol*KDTLong and Franklin, 1973gas phase; M
Quantity Value Units Method Reference Comment
Δr0.5kcal/molHPMSHogg, Haynes, et al., 1966gas phase; M

Lithium ion (1+) + Ammonia = (Lithium ion (1+) • Ammonia)

By formula: Li+ + H3N = (Li+ • H3N)

Quantity Value Units Method Reference Comment
Δr39.1kcal/molICRWoodin and Beauchamp, 1978gas phase; switching reaction(Li+)H2O, Entropy change calculated or estimated; Dzidic and Kebarle, 1970 interpolated; M
Δr38.5kcal/molICRStaley and Beauchamp, 1975gas phase; switching reaction(Li+)H2O, from graph; Dzidic and Kebarle, 1970 extrapolated; M
Quantity Value Units Method Reference Comment
Δr23.cal/mol*KN/AWoodin and Beauchamp, 1978gas phase; switching reaction(Li+)H2O, Entropy change calculated or estimated; Dzidic and Kebarle, 1970 interpolated; M
Quantity Value Units Method Reference Comment
Δr32.1kcal/molICRWoodin and Beauchamp, 1978gas phase; switching reaction(Li+)H2O, Entropy change calculated or estimated; Dzidic and Kebarle, 1970 interpolated; M

(Sodium ion (1+) • Ammonia) + Ammonia = (Sodium ion (1+) • 2Ammonia)

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

Quantity Value Units Method Reference Comment
Δr22. ± 1.kcal/molAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Δr25.1cal/mol*KHPMSCastleman, Holland, et al., 1978gas phase; M

H2N- + Hydrogen cation = Ammonia

By formula: H2N- + H+ = H3N

Quantity Value Units Method Reference Comment
Δr403.44 ± 0.28kcal/molD-EAWickham-Jones, Ervin, et al., 1989gas phase; B
Δr403.55 ± 0.80kcal/molG+TSMacKay, Hemsworth, et al., 1976gas phase; B
Δr402.30kcal/molN/ACheck, Faust, et al., 2001gas phase; HCrO3(t); ; ΔS(EA)=6.6; B
Quantity Value Units Method Reference Comment
Δr395.99 ± 0.38kcal/molH-TSWickham-Jones, Ervin, et al., 1989gas phase; B
Δr396.10 ± 0.70kcal/molIMREMacKay, Hemsworth, et al., 1976gas phase; B
Δr395.40kcal/molN/ACheck, Faust, et al., 2001gas phase; HCrO3(t); ; ΔS(EA)=6.6; B

C4H9+ + Ammonia = (C4H9+ • Ammonia)

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

Quantity Value Units Method Reference Comment
Δr46.8kcal/molPHPMSMeot-Ner (Mautner) and Sieck, 1991gas phase; forms t-C4H9NH3+; M
Δr45.3kcal/molPHPMSSzulejko and McMahon, 1991gas phase; forms t-C4H9NH3+; M
Δr46.5kcal/molPHPMSMeot-Ner (Mautner) and Sieck, 1990gas phase; forms t-C4H9NH3+; M
Quantity Value Units Method Reference Comment
Δr43.7cal/mol*KPHPMSMeot-Ner (Mautner) and Sieck, 1991gas phase; forms t-C4H9NH3+; M
Δr47.3cal/mol*KPHPMSSzulejko and McMahon, 1991gas phase; forms t-C4H9NH3+; M
Δr44.0cal/mol*KPHPMSMeot-Ner (Mautner) and Sieck, 1990gas phase; forms t-C4H9NH3+; M

Sodium ion (1+) + Ammonia = (Sodium ion (1+) • Ammonia)

By formula: Na+ + H3N = (Na+ • H3N)

Quantity Value Units Method Reference Comment
Δr24.4 ± 1.3kcal/molCIDCAmicangelo and Armentrout, 2001Anchor NH3=24.41; RCD
Δr24.4 ± 1.3kcal/molCIDTArmentrout and Rodgers, 2000RCD
Δr25.6 ± 0.2kcal/molHPMSHoyau, Norrman, et al., 1999RCD
Δr29.1kcal/molHPMSCastleman, Holland, et al., 1978gas phase; M
Quantity Value Units Method Reference Comment
Δr21800.cal/mol*KHPMSHoyau, Norrman, et al., 1999RCD
Δr25.7cal/mol*KHPMSCastleman, Holland, et al., 1978gas phase; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
18.6298.IMREMcMahon and Ohanessian, 2000Anchor alanine=39.89; RCD

C3H9Sn+ + Ammonia = (C3H9Sn+ • Ammonia)

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

Quantity Value Units Method Reference Comment
Δr36.9kcal/molPHPMSStone and Splinter, 1984gas phase; switching reaction((CH3)3Sn+)CH3OH/NH3, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr29.1cal/mol*KN/AStone and Splinter, 1984gas phase; switching reaction((CH3)3Sn+)CH3OH/NH3, Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
21.6525.PHPMSStone and Splinter, 1984gas phase; switching reaction((CH3)3Sn+)CH3OH/NH3, Entropy change calculated or estimated; M

(NH4+ • 3Hydrogen cyanide • Ammonia) + Hydrogen cyanide = (NH4+ • 4Hydrogen cyanide • Ammonia)

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

Quantity Value Units Method Reference Comment
Δr8.6kcal/molPHPMSDeakyne, Knuth, et al., 1994gas phase; Entropy change calculated or estimated, T = 392 in paper is error; M
Quantity Value Units Method Reference Comment
Δr20.cal/mol*KN/ADeakyne, Knuth, et al., 1994gas phase; Entropy change calculated or estimated, T = 392 in paper is error; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
2.7292.PHPMSDeakyne, Knuth, et al., 1994gas phase; Entropy change calculated or estimated, T = 392 in paper is error; M

Iodide + Ammonia = (Iodide • Ammonia)

By formula: I- + H3N = (I- • H3N)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr7.40 ± 0.30kcal/molTDAsEvans, Keesee, et al., 1987gas phase; B,M
Δr7.4 ± 1.0kcal/molTDAsCaldwell, Masucci, et al., 1989gas phase; B,M
Quantity Value Units Method Reference Comment
Δr20.9cal/mol*KHPMSEvans, Keesee, et al., 1987gas phase; M
Quantity Value Units Method Reference Comment
Δr1.20 ± 0.60kcal/molTDAsEvans, Keesee, et al., 1987gas phase; B

(NH4+ • Ammonia • 2Hydrogen cyanide) + Ammonia = (NH4+ • 2Ammonia • 2Hydrogen cyanide)

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

Quantity Value Units Method Reference Comment
Δr12.9kcal/molPHPMSDeakyne, Knuth, et al., 1994gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr20.cal/mol*KN/ADeakyne, Knuth, et al., 1994gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
6.6315.PHPMSDeakyne, Knuth, et al., 1994gas phase; Entropy change calculated or estimated; M

(NH4+ • Hydrogen cyanide • 2Ammonia) + Hydrogen cyanide = (NH4+ • 2Hydrogen cyanide • 2Ammonia)

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

Quantity Value Units Method Reference Comment
Δr11.2kcal/molPHPMSDeakyne, Knuth, et al., 1994gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr20.cal/mol*KN/ADeakyne, Knuth, et al., 1994gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
4.9315.PHPMSDeakyne, Knuth, et al., 1994gas phase; Entropy change calculated or estimated; M

(NH4+ • Hydrogen cyanide) + Ammonia = (NH4+ • Ammonia • Hydrogen cyanide)

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

Quantity Value Units Method Reference Comment
Δr18.8kcal/molPHPMSDeakyne, Knuth, et al., 1994gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr22.cal/mol*KN/ADeakyne, Knuth, et al., 1994gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
9.4429.PHPMSDeakyne, Knuth, et al., 1994gas phase; Entropy change calculated or estimated; M

Bromine anion + Ammonia = (Bromine anion • Ammonia)

By formula: Br- + H3N = (Br- • H3N)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr7.70 ± 0.10kcal/molTDAsEvans, Keesee, et al., 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Δr19.1cal/mol*KHPMSEvans, Keesee, et al., 1987gas phase; M
Quantity Value Units Method Reference Comment
Δr2.00 ± 0.20kcal/molTDAsEvans, Keesee, et al., 1987gas phase; B

(NH4+ • 5Ammonia) + Ammonia = (NH4+ • 6Ammonia)

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

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr6.5kcal/molPHPMSArshadi and Futrell, 1974gas phase; M
Δr6.kcal/molMKERWei, Tzeng, et al., 1990gas phase; from graph; M
Quantity Value Units Method Reference Comment
Δr21.9cal/mol*KPHPMSArshadi and Futrell, 1974gas phase; M

Potassium ion (1+) + Ammonia = (Potassium ion (1+) • Ammonia)

By formula: K+ + H3N = (K+ • H3N)

Quantity Value Units Method Reference Comment
Δr20.1kcal/molHPMSCastleman, 1978gas phase; M
Δr17.8kcal/molHPMSDavidson and Kebarle, 1976gas phase; M
Quantity Value Units Method Reference Comment
Δr23.0cal/mol*KHPMSCastleman, 1978gas phase; M
Δr28.0cal/mol*KHPMSDavidson and Kebarle, 1976gas phase; M

(NH4+ • 2Ammonia) + Hydrogen cyanide = (NH4+ • Hydrogen cyanide • 2Ammonia)

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

Quantity Value Units Method Reference Comment
Δr13.4kcal/molPHPMSDeakyne, Knuth, et al., 1994gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr18.3cal/mol*KN/ADeakyne, Knuth, et al., 1994gas phase; Entropy change calculated or estimated; M

(NH4+ • Ammonia • 2Water) + Ammonia = (NH4+ • 2Ammonia • 2Water)

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

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr15.7kcal/molPHPMSPayzant, Cunningham, et al., 1973gas phase; M
Quantity Value Units Method Reference Comment
Δr33.9cal/mol*KPHPMSPayzant, Cunningham, et al., 1973gas phase; M

(NH4+ • Water • 2Ammonia) + Water = (NH4+ • 2Water • 2Ammonia)

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

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr11.7kcal/molPHPMSPayzant, Cunningham, et al., 1973gas phase; M
Quantity Value Units Method Reference Comment
Δr27.8cal/mol*KPHPMSPayzant, Cunningham, et al., 1973gas phase; M

(C6H15O3+ • Ammonia) + Ethane, 1,1'-oxybis[2-methoxy- = (C6H15O3+ • Ethane, 1,1'-oxybis[2-methoxy- • Ammonia)

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

Bond type: Hydrogen bonds between protonated and neutral organics

Quantity Value Units Method Reference Comment
Δr30.5kcal/molPHPMSMeot-Ner (Mautner), Sieck, et al., 1996gas phase; M
Quantity Value Units Method Reference Comment
Δr50.9cal/mol*KPHPMSMeot-Ner (Mautner), Sieck, et al., 1996gas phase; M

(NH4+ • 2Ammonia • Water) + Ammonia = (NH4+ • 3Ammonia • Water)

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

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr15.0kcal/molPHPMSPayzant, Cunningham, et al., 1973gas phase; M
Quantity Value Units Method Reference Comment
Δr34.3cal/mol*KPHPMSPayzant, Cunningham, et al., 1973gas phase; M

(NH4+ • 2Water • Ammonia) + Water = (NH4+ • 3Water • Ammonia)

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

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr12.2kcal/molPHPMSPayzant, Cunningham, et al., 1973gas phase; M
Quantity Value Units Method Reference Comment
Δr28.5cal/mol*KPHPMSPayzant, Cunningham, et al., 1973gas phase; M

(NH4+ • Ammonia • Water) + Ammonia = (NH4+ • 2Ammonia • Water)

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

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr17.1kcal/molPHPMSPayzant, Cunningham, et al., 1973gas phase; M
Quantity Value Units Method Reference Comment
Δr31.8cal/mol*KPHPMSPayzant, Cunningham, et al., 1973gas phase; M

(NH4+ • Water • Ammonia) + Water = (NH4+ • 2Water • Ammonia)

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

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr12.7kcal/molPHPMSPayzant, Cunningham, et al., 1973gas phase; M
Quantity Value Units Method Reference Comment
Δr25.0cal/mol*KPHPMSPayzant, Cunningham, et al., 1973gas phase; M

(NH4+ • 2Ammonia) + Water = (NH4+ • Water • 2Ammonia)

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

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr12.4kcal/molPHPMSPayzant, Cunningham, et al., 1973gas phase; M
Quantity Value Units Method Reference Comment
Δr24.6cal/mol*KPHPMSPayzant, Cunningham, et al., 1973gas phase; M

(NH4+ • 2Water) + Ammonia = (NH4+ • Ammonia • 2Water)

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

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr18.2kcal/molPHPMSPayzant, Cunningham, et al., 1973gas phase; M
Quantity Value Units Method Reference Comment
Δr30.3cal/mol*KPHPMSPayzant, Cunningham, et al., 1973gas phase; M

(NH4+ • 3Ammonia) + Water = (NH4+ • Water • 3Ammonia)

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

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr11.7kcal/molPHPMSPayzant, Cunningham, et al., 1973gas phase; M
Quantity Value Units Method Reference Comment
Δr27.9cal/mol*KPHPMSPayzant, Cunningham, et al., 1973gas phase; M

(NH4+ • 3Water) + Ammonia = (NH4+ • Ammonia • 3Water)

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

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr17.3kcal/molPHPMSPayzant, Cunningham, et al., 1973gas phase; M
Quantity Value Units Method Reference Comment
Δr35.1cal/mol*KPHPMSPayzant, Cunningham, et al., 1973gas phase; M

(NH4+ • Ammonia) + Water = (NH4+ • Water • Ammonia)

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

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr12.9kcal/molPHPMSPayzant, Cunningham, et al., 1973gas phase; M
Quantity Value Units Method Reference Comment
Δr20.3cal/mol*KPHPMSPayzant, Cunningham, et al., 1973gas phase; M

(NH4+ • Water) + Ammonia = (NH4+ • Ammonia • Water)

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

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr18.4kcal/molPHPMSPayzant, Cunningham, et al., 1973gas phase; M
Quantity Value Units Method Reference Comment
Δr23.0cal/mol*KPHPMSPayzant, Cunningham, et al., 1973gas phase; M

(NH4+ • Ethane, 1,2-dimethoxy-) + Ammonia = (NH4+ • Ammonia • Ethane, 1,2-dimethoxy-)

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

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr14.0kcal/molPHPMSMeot-Ner (Mautner), Sieck, et al., 1996gas phase; M
Quantity Value Units Method Reference Comment
Δr19.4cal/mol*KPHPMSMeot-Ner (Mautner), Sieck, et al., 1996gas phase; M

Hydrogen anion + Ammonia = (Hydrogen anion • Ammonia)

By formula: H- + H3N = (H- • H3N)

Quantity Value Units Method Reference Comment
Δr7.10kcal/molEstSnodgrass, Coe, et al., 1995gas phase; Stated electron affinity is the Vertical Detachment Energy; B
Δr8.3kcal/molPESCoe, Snodgrass, et al., 1985gas phase; ΔrH<; M

(Copper ion (1+) • 2Ammonia) + Ammonia = (Copper ion (1+) • 3Ammonia)

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

Quantity Value Units Method Reference Comment
Δr11.2 ± 1.4kcal/molCIDTWalter and Armentrout, 1998RCD
Δr14.0kcal/molHPMSHolland and Castleman, 1982gas phase; M
Quantity Value Units Method Reference Comment
Δr23.8cal/mol*KHPMSHolland and Castleman, 1982gas phase; M

(Copper ion (1+) • 3Ammonia) + Ammonia = (Copper ion (1+) • 4Ammonia)

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

Quantity Value Units Method Reference Comment
Δr10.0 ± 1.4kcal/molCIDTWalter and Armentrout, 1998RCD
Δr12.8kcal/molHPMSHolland and Castleman, 1982gas phase; M
Quantity Value Units Method Reference Comment
Δr28.7cal/mol*KHPMSHolland and Castleman, 1982gas phase; M

(Lead ion (1+) • 2Ammonia) + Ammonia = (Lead ion (1+) • 3Ammonia)

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

Quantity Value Units Method Reference Comment
Δr13.0kcal/molHPMSGuo and Castleman, 1991gas phase; ΔrS from graph; M
Quantity Value Units Method Reference Comment
Δr21.4cal/mol*KHPMSGuo and Castleman, 1991gas phase; ΔrS from graph; M

(Lead ion (1+) • 3Ammonia) + Ammonia = (Lead ion (1+) • 4Ammonia)

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

Quantity Value Units Method Reference Comment
Δr10.7kcal/molHPMSGuo and Castleman, 1991gas phase; ΔrS from graph; M
Quantity Value Units Method Reference Comment
Δr24.3cal/mol*KHPMSGuo and Castleman, 1991gas phase; ΔrS from graph; M

(Lead ion (1+) • Ammonia) + Ammonia = (Lead ion (1+) • 2Ammonia)

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

Quantity Value Units Method Reference Comment
Δr19.2kcal/molHPMSGuo and Castleman, 1991gas phase; ΔrS from graph; M
Quantity Value Units Method Reference Comment
Δr27.0cal/mol*KHPMSGuo and Castleman, 1991gas phase; ΔrS from graph; M

C2H8N+ + Ammonia = (C2H8N+ • Ammonia)

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

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr20.6kcal/molPHPMSYamdagni and Kebarle, 1974gas phase; M
Quantity Value Units Method Reference Comment
Δr28.2cal/mol*KPHPMSYamdagni and Kebarle, 1974gas phase; M

C6H15O3+ + Ammonia = (C6H15O3+ • Ammonia)

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

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr30.4kcal/molPHPMSMeot-Ner (Mautner), Sieck, et al., 1996gas phase; M
Quantity Value Units Method Reference Comment
Δr27.9cal/mol*KPHPMSMeot-Ner (Mautner), Sieck, et al., 1996gas phase; M

CH6N+ + Ammonia = (CH6N+ • Ammonia)

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

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr21.4kcal/molPHPMSYamdagni and Kebarle, 1974gas phase; M
Quantity Value Units Method Reference Comment
Δr26.cal/mol*KPHPMSYamdagni and Kebarle, 1974gas phase; M

Lead ion (1+) + Ammonia = (Lead ion (1+) • Ammonia)

By formula: Pb+ + H3N = (Pb+ • H3N)

Quantity Value Units Method Reference Comment
Δr28.3kcal/molHPMSGuo and Castleman, 1991gas phase; ΔrS from graph; M
Quantity Value Units Method Reference Comment
Δr23.6cal/mol*KHPMSGuo and Castleman, 1991gas phase; ΔrS from graph; M

(Hydrogen anion • Ammonia) + Ammonia = (Hydrogen anion • 2Ammonia)

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

Quantity Value Units Method Reference Comment
Δr8.10kcal/molEstSnodgrass, Coe, et al., 1995gas phase; Affinity: shift in apparent EA from lesser-solvated ion. Ignores any neutral-neutral bond.; B

(H2N- • Ammonia) + Ammonia = (H2N- • 2Ammonia)

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

Quantity Value Units Method Reference Comment
Δr11.10kcal/molEstSnodgrass, Coe, et al., 1989gas phase; Affinity: shift in apparent EA from lesser-solvated ion. Ignores any neutral-neutral bond.; B

(NH4+ • 2Hydrogen cyanide • Ammonia) + Hydrogen cyanide = (NH4+ • 3Hydrogen cyanide • Ammonia)

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

Quantity Value Units Method Reference Comment
Δr12.8kcal/molPHPMSDeakyne, Knuth, et al., 1994gas phase; M
Quantity Value Units Method Reference Comment
Δr24.1cal/mol*KPHPMSDeakyne, Knuth, et al., 1994gas phase; M

(NH4+ • Hydrogen cyanide • Ammonia) + Hydrogen cyanide = (NH4+ • 2Hydrogen cyanide • Ammonia)

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

Quantity Value Units Method Reference Comment
Δr12.2kcal/molPHPMSDeakyne, Knuth, et al., 1994gas phase; M
Quantity Value Units Method Reference Comment
Δr19.4cal/mol*KPHPMSDeakyne, Knuth, et al., 1994gas phase; M

(NH4+ • 2Ammonia • Acetonitrile) + Ammonia = (NH4+ • 3Ammonia • Acetonitrile)

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

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr13.6kcal/molMKERTzeng, Wei, et al., 1991gas phase; from graph; M

Gas phase ion energetics data

Go To: Top, Reaction thermochemistry data, Vibrational and/or electronic energy levels, Gas Chromatography, 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)204.0kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity195.7kcal/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
Δr403.44 ± 0.28kcal/molD-EAWickham-Jones, Ervin, et al., 1989gas phase; B
Δr403.55 ± 0.80kcal/molG+TSMacKay, Hemsworth, et al., 1976gas phase; B
Δr402.30kcal/molN/ACheck, Faust, et al., 2001gas phase; HCrO3(t); ; ΔS(EA)=6.6; B
Quantity Value Units Method Reference Comment
Δr395.99 ± 0.38kcal/molH-TSWickham-Jones, Ervin, et al., 1989gas phase; B
Δr396.10 ± 0.70kcal/molIMREMacKay, Hemsworth, et al., 1976gas phase; B
Δr395.40kcal/molN/ACheck, Faust, et al., 2001gas phase; HCrO3(t); ; ΔS(EA)=6.6; B

Vibrational and/or electronic energy levels

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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 compiled by: Takehiko Shimanouchi

Symmetry:   C     Symmetry Number σ = 3


 Sym.   No   Approximate   Selected Freq.  Infrared   Raman   Comments 
 Species   type of mode   Value   Rating   Value  Phase  Value  Phase

a1 1 Sym str 3337  A 3336.2 symmetric level
a1 1 Sym str 3337  A 3337.2 antisymmetric level
a1 2 Sym deform 950  C 932.5 symmetric level
a1 2 Sym deform 950  C 968.3 antisymmetric level
e 3 Deg str 3444  A 3443.6 symmetric level
e 3 Deg str 3444  A 3443.9 antisymmetric level
e 4 Deg deform 1627  A 1626.1 symmetric level
e 4 Deg deform 1627  A 1627.4 antisymmetric level

Source: Shimanouchi, 1972

Notes

A0~1 cm-1 uncertainty
C3~6 cm-1 uncertainty

Gas Chromatography

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, References, Notes

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

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Kovats' RI, non-polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
PackedPMS-100150.118.Anderson, Jurel, et al., 1973He, Celite 545 (44-60 mesh); Column length: 3. m
PackedPMS-100180.131.Anderson, Jurel, et al., 1973He, Celite 545 (44-60 mesh); Column length: 3. m

References

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, Gas Chromatography, 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]

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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]

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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]

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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]

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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]

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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]

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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]

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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]

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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]

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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]

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

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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]

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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]

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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]

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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]

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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]

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Deakyne, Knuth, et al., 1994
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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]

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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
Davidson, W.R.; Kebarle, P., Binding Energies and Stabilities of Potassium Ion Complexes from Studies of Gas Phase Ion Equilibria K+ + M = K+.M, J. Am. Chem. Soc., 1976, 98, 20, 6133, https://doi.org/10.1021/ja00436a011 . [all data]

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Snodgrass, J.T.; Coe, J.V.; Freidhoff, C.B.; Mchugh, K.M.; Arnold, S.T.; Bowen, K.H., Negative ion photoelectron spectroscopy of NH2-(NH3)1 and NH2-(NH3)2: Gas phase basicities of partially solvated anions, J. Phys. Chem., 1995, 99, 24, 9675, https://doi.org/10.1021/j100024a006 . [all data]

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Coe, J.V.; Snodgrass, J.T.; Friedhoff, C.B.; McHugh, K.M.; Bowen, K.H., Negative ion photoelectron spectroscopy of the negative ion H-(NH3), J. Chem. Phys., 1985, 83, 3169. [all data]

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Walter, D.; Armentrout, P.B., Periodic Trends in Chemical Reactivity: Reactions of Sc+, Y+, La+, and Lu+ with H2, D2 and HD, J. Am. Chem. Soc., 1998, 120, 13, 3176, https://doi.org/10.1021/ja973202c . [all data]

Holland and Castleman, 1982
Holland, P.M.; Castleman, A.W., The Thermochemical Properties of Gas - Phase Transition Metal Ion Complexes, J. Chem. Phys., 1982, 76, 8, 4195, https://doi.org/10.1063/1.443497 . [all data]

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Guo, B.C.; Castleman, A.W., The Clustering Reactions of Na+ and Pb+ with Several Important Ligands, Zeit. Phys. D., 1991, 19, 1-4, 397, https://doi.org/10.1007/BF01448337 . [all data]

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Notes

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