Nitrate Radical

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Gas phase thermochemistry data

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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
Δfgas17.00kcal/molReviewChase, 1998Data last reviewed in December, 1964
Quantity Value Units Method Reference Comment
gas,1 bar60.375cal/mol*KReviewChase, 1998Data last reviewed in December, 1964

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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Temperature (K) 298. to 1100.1100. to 6000.
A 2.68240019.66400
B 39.767900.116421
C -35.47940-0.023606
D 11.330300.001638
E -0.042254-1.497360
F 14.581406.984491
G 53.0038077.97629
H 17.0000017.00000
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in December, 1964 Data last reviewed in December, 1964

Henry's Law data

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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: 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
0.60 EN/AValue obtained by estimating the diffusion coefficient for NO3 to be D = 1.0E-5 cm2/s.
<0.65 EN/A 
2.02000.MN/A 
12.1900.TN/A 
0.0342000.TN/ACalculated from correlation between the polarizabilities and solubilities of stable gases. The temperature dependence is an estimate of the upper limit.

Gas phase ion energetics data

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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 as indicated in comments:
B - John E. Bartmess
LL - Sharon G. Lias and Joel F. Liebman

Electron affinity determinations

EA (eV) Method Reference Comment
3.937 ± 0.014LPESWeaver, Arnold, et al., 1991B
3.937 ± 0.019R-ADavidson, Fehsenfeld, et al., 1977Relative to HBr, reevaluated with current HBr acidity. Excited state at 3.0 eV,81WU /TIE.; B
3.70 ± 0.20IMREMcFarland, Dunkin, et al., 1972NO3- + NO <=> NO2- + NO2; B

Ionization energy determinations

IE (eV) Method Reference Comment
12.57 ± 0.03PIMonks, Stief, et al., 1994LL

Anion protonation reactions

NO3 anion + Hydrogen cation = Nitric acid

By formula: NO3- + H+ = HNO3

Quantity Value Units Method Reference Comment
Δr324.50 ± 0.20kcal/molTDEqDavidson, Fehsenfeld, et al., 1977gas phase; Relative to HBr, reevaluated with current HBr acidity. Excited state at 3.0 eV,81WU /TIE.; B
Δr329.9 ± 4.8kcal/molNBAEMathur, Rothe, et al., 1976gas phase; From HNO3; B
Δr329.1 ± 5.8kcal/molEndoRefaey and Franklin, 1976gas phase; I- + HNO3 ->.; B
Δr324.50 ± 0.50kcal/molTDEqFerguson, Dunkin, et al., 1972gas phase; B
Δr356.30kcal/molEndoBerkowitz, Chupka, et al., 1971gas phase; B
Quantity Value Units Method Reference Comment
Δr317.80 ± 0.20kcal/molTDEqDavidson, Fehsenfeld, et al., 1977gas phase; Relative to HBr, reevaluated with current HBr acidity. Excited state at 3.0 eV,81WU /TIE.; B

References

Go To: Top, Gas phase thermochemistry data, Henry's Law 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.

Chase, 1998
Chase, M.W., Jr., NIST-JANAF Themochemical Tables, Fourth Edition, J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]

Weaver, Arnold, et al., 1991
Weaver, A.; Arnold, D.W.; Bradforth, S.E.; Neumark, D.M., Estimation of the 2A'2 and 2E States of NO3 by Ultraviolet Photoelectron Spectroscopy of NO3-, J. Chem. Phys., 1991, 94, 3, 1740, https://doi.org/10.1063/1.459947 . [all data]

Davidson, Fehsenfeld, et al., 1977
Davidson, J.A.; Fehsenfeld, F.C.; Howard, C.J., The heats of formation of NO3- and NO3- association complexes with HNO3 and HBr, Int. J. Chem. Kinet., 1977, 9, 17. [all data]

McFarland, Dunkin, et al., 1972
McFarland, M.; Dunkin, D.B.; Fehsenfeld, F.C.; Schmeltekopf, A.L.; Ferguson, E.E., Collisional detachment studies of NO-, J. Chem. Phys., 1972, 56, 2358. [all data]

Monks, Stief, et al., 1994
Monks, P.S.; Stief, L.J.; Krauss, M.; Kuo, S.C.; Zhang, Z.; Klemm, R.B., A discharge flow-photoionization mass spectrometric study of the NO3(2A2') radical: Photoionization spectrum, adiabatic ionization energy, and ground state symmetry, J. Phys. Chem., 1994, 98, 10017. [all data]

Mathur, Rothe, et al., 1976
Mathur, B.P.; Rothe, E.W.; Tang, S.Y.; Mahajan, K.; Reck, G.P., Negative gaseous ions from nitric acid, J. Chem. Phys., 1976, 64, 1247. [all data]

Refaey and Franklin, 1976
Refaey, K.M.A.; Franklin, J.L., Endoergic ion-molecule-collision processes of negative ions. V. Collision of I- on HNO3. The electron affinity of NO3, J. Chem. Phys., 1976, 64, 4810. [all data]

Ferguson, Dunkin, et al., 1972
Ferguson, E.E.; Dunkin, D.B.; Fehsenfeld, F.C., Reactions of NO2- and NO3- with HCl and HBr, J. Chem. Phys., 1972, 57, 1459. [all data]

Berkowitz, Chupka, et al., 1971
Berkowitz, J.; Chupka, W.A.; Gutman, D., Electron Affinities of O2, O3, NO, NO2, and NO3 by Endothermic Charge Transfer, J. Chem. Phys., 1971, 55, 6, 2733, https://doi.org/10.1063/1.1676488 . [all data]


Notes

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