Nitrogen dioxide

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Phase change 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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director

Quantity Value Units Method Reference Comment
Tboil295.08KN/AThorpe, 1880Uncertainty assigned by TRC = 0.5 K; TRC

Antoine Equation Parameters

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

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Temperature (K) A B C Reference Comment
217.6 to 294.3.35248540.635-131.93Stull, 1947Coefficents calculated by NIST from author's data.

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:


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
0.0122500.TN/A 
0.010 N/AN/A 
0.041 CN/A 
0.0070 MN/AValue at T = 295. K.
0.040 CN/A 
0.024 CN/A 
0.012 LN/A 
0.0341800.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 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 NO2+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)9.586 ± 0.002eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)591.0kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity560.3kJ/molN/AHunter and Lias, 1998HL

Electron affinity determinations

EA (eV) Method Reference Comment
2.2730 ± 0.0050LPESErvin, Ho, et al., 1988B
2.30 ± 0.10IMREChowdhury, Heinis, et al., 1986ΔGea(423 K) = -52.6 kcal/mol; ΔSea (estimated) = -0.82 eu.; B
2.275 ± 0.025LPDWoo, Helmy, et al., 1981B
2.36 ± 0.10LPESHerbst, Patterson, et al., 1974B
2.35 ± 0.10LPDSmith, Lee, et al., 1979B
2.40 ± 0.10CIDTTiernan and Wu, 1978B
2.28 ± 0.10IMRBHughes, Lifschitz, et al., 1973B
2.380 ± 0.060IMRBDunkin, Fehsenfeld, et al., 1972B
2.30 ± 0.15EndoLifshitz, Hughes, et al., 1970B
2.11 ± 0.18ECDChen and Wentworth, 1983B
2.800 ± 0.050LPDRichardson, Stephenson, et al., 1974See also Pearson, Schaefer, et al., 1974; B
1.800 ± 0.050LPDRichardson, Stephenson, et al., 1974B
<2.59998IMRBFerguson, Dunkin, et al., 1972B
1.80 ± 0.20NBIEDurup, Parlant, et al., 1977B
2.09999EndoRefaey, 1976B
2.500 ± 0.050NBIELeffert, Jackson, et al., 1973B
>2.50 ± 0.10NBIENalley, Compton, et al., 1973B
2.50 ± 0.10NBIEBaeda, 1972B
2.03998EndoBerkowitz, Chupka, et al., 1971B
2.07 ± 0.24IMRBVogt, 1969B
3.100 ± 0.050PDWarneck, 1969B
3.90 ± 0.20EIAETsuda and Hamill, 1964From MeNO2, EtNO2; B
>3.81995IMRBCurran, 1962B
3.9895SIFarragher, Page, et al., 1964The Magnetron method, lacking mass analysis, is not considered reliable.; B

Ionization energy determinations

IE (eV) Method Reference Comment
9.60 ± 0.03ENDClemmer and Armentrout, 1992LL
9.586 ± 0.002LSHaber, Zwanziger, et al., 1988LL
11.23PEKimura, Katsumata, et al., 1981LLK
10.4 ± 0.3EIStephan, Helm, et al., 1980LLK
≤9.62 ± 0.01PIKillgoar, Leroi, et al., 1973LLK
9.75 ± 0.01PIDibeler and Walker, 1967RDSH
11.23PEKatsumata, Shiromaru, et al., 1982Vertical value; LBLHLM

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
NO+12.34OPIDibeler and Walker, 1967RDSH
O+16.82NOPIDibeler, Walker, et al., 1967RDSH

Anion protonation reactions

Nitrogen oxide anion + Hydrogen cation = Nitrous acid

By formula: NO2- + H+ = HNO2

Quantity Value Units Method Reference Comment
Δr1423.5 ± 0.88kJ/molD-EAErvin, Ho, et al., 1988gas phase; B
Quantity Value Units Method Reference Comment
Δr1396.3 ± 1.3kJ/molH-TSErvin, Ho, et al., 1988gas phase; B

References

Go To: Top, Phase change 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.

Thorpe, 1880
Thorpe, T.E., On the Relation Between the Molecular Weights of Substances and their Specific Gravities in the Liquid State, J. Chem. Soc., 1880, 37, 141. [all data]

Stull, 1947
Stull, Daniel R., Vapor Pressure of Pure Substances. Organic and Inorganic Compounds, Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022 . [all data]

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Ervin, Ho, et al., 1988
Ervin, K.M.; Ho, J.; Lineberger, W.C., Ultraviolet Photoelectron Spectrum of NO2-, J. Phys. Chem., 1988, 92, 19, 5405, https://doi.org/10.1021/j100330a017 . [all data]

Chowdhury, Heinis, et al., 1986
Chowdhury, S.; Heinis, T.; Grimsrud, E.P.; Kebarle, P., Entropy Changes and Electron Affinities from Gas-Phase Electron Transfer Equilibria: A- + B = A + B-, J. Phys. Chem., 1986, 90, 12, 2747, https://doi.org/10.1021/j100403a037 . [all data]

Woo, Helmy, et al., 1981
Woo, S.B.; Helmy, E.M.; Mauk, P.H.; Paszek, A.P., Wide Range Absolute Photodetachment Spectrum of NO2-, Phys. Rev. A, 1981, 24, 3, 1380, https://doi.org/10.1103/PhysRevA.24.1380 . [all data]

Herbst, Patterson, et al., 1974
Herbst, E.; Patterson, T.A.; Lineberger, W.C., Laser photodetachment of NO2-, J. Chem. Phys., 1974, 61, 1300. [all data]

Smith, Lee, et al., 1979
Smith, G.P.; Lee, L.C.; Moseley, J.T., Photodissociation and photodetachment of molecular negative ions. VIII. Nitrogen oxides and hydrates,3500-8250 Å, J. Chem. Phys., 1979, 71, 4034. [all data]

Tiernan and Wu, 1978
Tiernan, T.O.; Wu, R.L.C., Thermochemical Data for Molecular Negative Ions from Collisional Dissociation Thresholds, Adv. Mass Spectrom., 1978, 7A, 136. [all data]

Hughes, Lifschitz, et al., 1973
Hughes, B.M.; Lifschitz, C.; Tiernan, T.O., Electron affinities from endothermic negative-ion charge-transfer reactions. III. NO, NO2, S2, CS2, Cl2, Br2, I2, and C2H, J. Chem. Phys., 1973, 59, 3162. [all data]

Dunkin, Fehsenfeld, et al., 1972
Dunkin, D.B.; Fehsenfeld, F.C.; Ferguson, F.E., Thermal energy rate constants for the reactions NO2- + Cl2 → Cl2-, Cl2- + NO2 Ü Cl-, HS- + NO2 Ü NO2-, HS- + Cl2 Ü Cl2-, and S- + NO2 Ü NO2-, Chem. Phys. Lett., 1972, 15, 257. [all data]

Lifshitz, Hughes, et al., 1970
Lifshitz, C.; Hughes, B.M.; Tiernan, T.O., Electron Affinities for Endothermic Negative Ion Charge Transfer Reactions: NO2 and SF6, Chem. Phys. Lett., 1970, 7, 4, 469, https://doi.org/10.1016/0009-2614(70)80339-6 . [all data]

Chen and Wentworth, 1983
Chen, E.C.M.; Wentworth, W.E., Determination of molecular electron affinities using the electron capture detector in the pulse sampling mode at steady state, J. Phys. Chem., 1983, 87, 45. [all data]

Richardson, Stephenson, et al., 1974
Richardson, J.H.; Stephenson, L.M.; Brauman, J.I., Photodetachment of NO2-: Experimental evidence for a new isomer, Chem. Phys. Lett., 1974, 25, 318. [all data]

Pearson, Schaefer, et al., 1974
Pearson, P.K.; Schaefer, H.F., III; Richardson, J.H.; Stephenson, L.M.; Brauman, J.I., Three isomers of the NO2- ion, J. Am. Chem. Soc., 1974, 96, 6778. [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]

Durup, Parlant, et al., 1977
Durup, M.; Parlant, G.; Appell, J.; Durup, J.; Ozenne, J.-B., Translational spectroscopy of neutralization-reionization double collision processes of Ar+ ions at keV energies, Chem. Phys., 1977, 25, 245. [all data]

Refaey, 1976
Refaey, K.M.A., Endoergic ion-molecule-Collision Processes of Negative Ions. IV. Collisions of I- on NO2, N2O and NO, Int. J. Mass Spectrom. Ion Phys., 1976, 21, 21. [all data]

Leffert, Jackson, et al., 1973
Leffert, C.B.; Jackson, W.M.; Rothe, E.W., Measurement of the electron affinity of NO2, J. Chem. Phys., 1973, 58, 5801. [all data]

Nalley, Compton, et al., 1973
Nalley, S.J.; Compton, R.N.; Schweinler, H.C.; Anderson, V.E., Molecular electron affinities from collisional ionization of cesium. I. NO, NO2, and N2O, J. Chem. Phys., 1973, 59, 4125. [all data]

Baeda, 1972
Baeda, A.P.M., The adiabatic electron affinities of Cl2, Br2, I2, IBr, NO2, and O2, Physica, 1972, 59, 541. [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]

Vogt, 1969
Vogt, D., Uber die Energieanhangigkeit und den Mechanismus von Reaktionen bei Stossen Langsamer Negativer Ionen auf Molekule, Int. J. Mass Spectrom. Ion Phys., 1969, 3, 1-2, 81, https://doi.org/10.1016/0020-7381(69)80062-8 . [all data]

Warneck, 1969
Warneck, P., Photodetachment of NO2-, Chem. Phys. Lett., 1969, 3, 7, 532, https://doi.org/10.1016/0009-2614(69)85054-2 . [all data]

Tsuda and Hamill, 1964
Tsuda, S.; Hamill, W.H., Ionization Efficiency Measurements by the Retarding Potential Difference Method, Adv. Mass Spectrom., 1964, 3, 249. [all data]

Curran, 1962
Curran, R.K., Formation of NO2- by Charge Transfer at Very Low Energies, Phys. Rev., 1962, 125, 3, 910, https://doi.org/10.1103/PhysRev.125.910 . [all data]

Farragher, Page, et al., 1964
Farragher, A.L.; Page, F.M.; Wheeler, R.C., Electron Affinities of the Nitrogen Oxides, Disc. Faraday Soc., 1964, 37, 203, https://doi.org/10.1039/df9643700203 . [all data]

Clemmer and Armentrout, 1992
Clemmer, D.E.; Armentrout, P.B., Direct determination of the adiabatic ionization energy of NO2 as measured by guided ion-beam mass spectrometry, J. Chem. Phys., 1992, 97, 2451. [all data]

Haber, Zwanziger, et al., 1988
Haber, K.S.; Zwanziger, F.X.; Campos, R.T.; Wiedmann, R.T.; Grant, E.R., Direct determination of the adiabatic ionization potential of NO2 by multiresonant optical absorption, Chem. Phys. Lett., 1988, 144, 58. [all data]

Kimura, Katsumata, et al., 1981
Kimura, K.; Katsumata, S.; Achiba, Y.; Yamazaki, T.; Iwata, S., Ionization energies, Ab initio assignments, and valence electronic structure for 200 molecules in Handbook of HeI Photoelectron Spectra of Fundamental Organic Compounds, Japan Scientific Soc. Press, Tokyo, 1981. [all data]

Stephan, Helm, et al., 1980
Stephan, K.; Helm, H.; Kim, Y.B.; Seykora, G.; Ramler, J.; Grossl, M.; Mark, E.; Mark, T.D., Single and double ionization of nitrogen dioxide by electron impact from threshold up to 180 eV, J. Chem. Phys., 1980, 73, 303. [all data]

Killgoar, Leroi, et al., 1973
Killgoar, P.C., Jr.; Leroi, G.E.; Chupka, W.A.; Berkowitz, J., Photoionization study of NO2. I. The ionization potential, J. Chem. Phys., 1973, 59, 1370. [all data]

Dibeler and Walker, 1967
Dibeler, V.H.; Walker, J.A., Mass spectrometric study of the photoionization of small polyatomic molecules, Advan. Mass Spectrom., 1967, 4, 767. [all data]

Katsumata, Shiromaru, et al., 1982
Katsumata, S.; Shiromaru, H.; Mitani, K.; Iwata, S.; Kimura, K., Photoelectron angular distribution and assignments of photoelectron spectra of nitrogen dioxide, nitromethane and nitrobenzene, Chem. Phys., 1982, 69, 423. [all data]

Dibeler, Walker, et al., 1967
Dibeler, V.H.; Walker, J.A.; Liston, S.K., Mass spectrometric study of photoionization. VII.Nitrogen dioxide and nitrous oxide, J.Res. NBS, 1967, 71A, 371. [all data]


Notes

Go To: Top, Phase change data, Henry's Law data, Gas phase ion energetics data, References