Ammonia

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Gas phase thermochemistry data

Go To: Top, Phase change data, Reaction thermochemistry data, Henry's Law data, IR Spectrum, Mass spectrum (electron ionization), 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.

Quantity Value Units Method Reference Comment
Δfgas-10.98 ± 0.084kcal/molReviewCox, Wagman, et al., 1984CODATA Review value
Δfgas-10.97kcal/molReviewChase, 1998Data last reviewed in June, 1977
Quantity Value Units Method Reference Comment
gas,1 bar46.07 ± 0.01cal/mol*KReviewCox, Wagman, et al., 1984CODATA Review value
gas,1 bar46.073cal/mol*KReviewChase, 1998Data last reviewed in June, 1977

Gas Phase Heat Capacity (Shomate Equation)

Cp° = A + B*t + C*t2 + D*t3 + E/t2
H° − H°298.15= A*t + B*t2/2 + C*t3/3 + D*t4/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t2/2 + D*t3/3 − E/(2*t2) + G
    Cp = heat capacity (cal/mol*K)
    H° = standard enthalpy (kcal/mol)
    S° = standard entropy (cal/mol*K)
    t = temperature (K) / 1000.

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View table.

Temperature (K) 298. to 1400.1400. to 6000.
A 4.77907112.43410
B 11.895604.418741
C -3.674950-0.899887
D 0.4591700.059403
E 0.045214-2.977532
F -12.74060-20.44430
G 48.7234953.49001
H -10.96990-10.96990
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in June, 1977 Data last reviewed in June, 1977

Phase change data

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Henry's Law data, IR Spectrum, Mass spectrum (electron ionization), 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 as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tfus194.95KN/ATimmermans, 1921Uncertainty assigned by TRC = 0.3 K; TRC
Quantity Value Units Method Reference Comment
Ptriple0.05981atmN/AFonseca and Lobo, 1989Uncertainty assigned by TRC = 0.00005 atm; TRC
Quantity Value Units Method Reference Comment
Tc405.4KN/ABrunner, 1988Uncertainty assigned by TRC = 0.1 K; TRC
Tc405.6KN/AHentze, 1977Uncertainty assigned by TRC = 5. K; TRC
Quantity Value Units Method Reference Comment
Pc111.52atmN/ABrunner, 1988Uncertainty assigned by TRC = 0.05 atm; TRC

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
5.43308.N/AZander and Thomas, 1979Based on data from 293. to 392. K.; AC
5.62239.N/AOverstreet and Giauque, 1937Based on data from 199. to 241. K.; AC
5.59239.COverstreet and Giauque, 1937AC

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (atm)
    T = temperature (K)

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Temperature (K) A B C Reference Comment
164.0 to 239.63.18186506.713-80.78Stull, 1947Coefficents calculated by NIST from author's data.
239.6 to 371.54.863151113.928-10.409Stull, 1947Coefficents calculated by NIST from author's data.

Enthalpy of sublimation

ΔsubH (kcal/mol) Temperature (K) Reference Comment
7.46177. to 195.Overstreet and Giauque, 1937AC

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change data, Henry's Law data, IR Spectrum, Mass spectrum (electron ionization), 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 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

Henry's Law data

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), 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: Rolf Sander

Henry's Law constant (water solution)

kH(T) = H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(kH))/d(1/T) = Temperature dependence constant (K)

H (mol/(kg*bar)) d(ln(kH))/d(1/T) (K) Method Reference Comment
27.2100.QN/AOnly the tabulated data between T = 273. K and T = 303. K from missing citation was used to derive kH and -Δ kH/R. Above T = 303. K the tabulated data could not be parameterized by equation (reference missing) very well. The partial pressure of water vapor (needed to convert some Henry's law constants) was calculated using the formula given by missing citation. The quantities A and α from missing citation were assumed to be identical.
61.4200.MN/A 
56.4100.MN/A 
56.4200.TN/A 
58.4100.TN/A 
58.4100.QN/A missing citation refer to several references in their list of Henry's law constants but they don't assign them to specific species.
78. MN/A 
62.4085.?N/AN/A 
53. QN/A missing citation gives missing citation as the source for the data. However, no data was found in that reference.
59.4400.XN/A 
76.3400.MN/A 
61.4200.LN/A 
10.1500.LN/A 
57.4100.XN/AThe value is taken from the compilation of solubilities by W. Asman (unpublished).
59.4100.XN/AThe value is taken from the compilation of solubilities by W. Asman (unpublished).
62. XN/AValue given here as quoted by missing citation.

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

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


Mass spectrum (electron ionization)

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

Spectrum

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Additional Data

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Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
NIST MS number 6

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Vibrational and/or electronic energy levels

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, IR Spectrum, Mass spectrum (electron ionization), 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: 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

References

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, Notes

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

Cox, Wagman, et al., 1984
Cox, J.D.; Wagman, D.D.; Medvedev, V.A., CODATA Key Values for Thermodynamics, Hemisphere Publishing Corp., New York, 1984, 1. [all data]

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Timmermans, J., The Freezing Points of Organic Substances IV. New Exp. Determinations, Bull. Soc. Chim. Belg., 1921, 30, 62. [all data]

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Fonseca, I.M.A.; Lobo, L.Q., Thermodynamics of liquid mixtures of xenon and methyl fluoride, Fluid Phase Equilib., 1989, 47, 249. [all data]

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Brunner, E., Fluid Mixtures at High Pressures VI. Phase Separation and Critical Phenomena in 18 (n-Alkane + Ammonia) and 4 (n-Alkane _ Methanol) Mixtures, J. Chem. Thermodyn., 1988, 20, 273. [all data]

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Zander, Manfred; Thomas, Wilhelm, Some thermodynamic properties of liquid ammonia: PVT data, vapor pressure, and critical temperature, J. Chem. Eng. Data, 1979, 24, 1, 1-2, https://doi.org/10.1021/je60080a003 . [all data]

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Overstreet, Roy; Giauque, W.F., Ammonia. The Heat Capacity and Vapor Pressure of Solid and Liquid. Heat of Vaporization. The Entropy Values from Thermal and Spectroscopic Data, J. Am. Chem. Soc., 1937, 59, 2, 254-259, https://doi.org/10.1021/ja01281a008 . [all data]

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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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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]

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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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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]

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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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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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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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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]

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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]

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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]

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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]

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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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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]

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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]

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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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Notes

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