CH2=NO2 anion


Reaction 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.

Data compiled by: John E. Bartmess

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Individual Reactions

CH2NO2- + Hydrogen cation = Methane, nitro-

By formula: CH2NO2- + H+ = CH3NO2

Quantity Value Units Method Reference Comment
Δr358.0 ± 5.0kcal/molD-EAMetz, Cyr, et al., 1991gas phase
Δr356.4 ± 2.2kcal/molG+TSBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale
Δr357.4 ± 2.9kcal/molG+TSCumming and Kebarle, 1978gas phase
Quantity Value Units Method Reference Comment
Δr349.7 ± 2.0kcal/molIMREBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale
Δr350.7 ± 2.0kcal/molIMRECumming and Kebarle, 1978gas phase
Δr350.7 ± 2.0kcal/molIMREMacKay and Bohme, 1978gas phase; EA: < NO2

CH2NO2- + Methane, nitro- = C2H5N2O4-

By formula: CH2NO2- + CH3NO2 = C2H5N2O4-

Quantity Value Units Method Reference Comment
Δr15.90 ± 0.50kcal/molTDAsWincel, 2003gas phase
Quantity Value Units Method Reference Comment
Δr8.40kcal/molTDAsWincel, 2003gas phase

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 by: John E. Bartmess

Electron affinity of neutral species

EAneutral (eV) Method Reference Comment
2.475 ± 0.010LPESMetz, Cyr, et al., 1991 
2.55 ± 0.24D-EABartmess, Scott, et al., 1979value altered from reference due to change in acidity scale
<2.35996IMRBMacKay and Bohme, 1978EA: < NO2
0.499686EIAETsuda, Yokohata, et al., 1969From CH3NO2

Protonation reactions

CH2NO2- + Hydrogen cation = Methane, nitro-

By formula: CH2NO2- + H+ = CH3NO2

Quantity Value Units Method Reference Comment
Δr358.0 ± 5.0kcal/molD-EAMetz, Cyr, et al., 1991gas phase
Δr356.4 ± 2.2kcal/molG+TSBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale
Δr357.4 ± 2.9kcal/molG+TSCumming and Kebarle, 1978gas phase
Quantity Value Units Method Reference Comment
Δr349.7 ± 2.0kcal/molIMREBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale
Δr350.7 ± 2.0kcal/molIMRECumming and Kebarle, 1978gas phase
Δr350.7 ± 2.0kcal/molIMREMacKay and Bohme, 1978gas phase; EA: < NO2

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: Marilyn E. Jacox

State:   ?


 Energy 
 (cm-1
 Med.   Transition   λmin 
 (nm) 
 λmax 
 (nm) 
 References

Td = 19970 ± 80 gas Metz, Cyr, et al., 1991

Additional references: Jacox, 1994, page 337

Notes

dPhotodissociation threshold

References

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

Metz, Cyr, et al., 1991
Metz, R.B.; Cyr, D.R.; Neumark, D.M., Study of the 2B1 and 2A2 States of CH2NO2 via Ultraviolet Photoelectron Spectroscopy of the CH2NO2- Anion, J. Phys. Chem., 1991, 95, 7, 2900, https://doi.org/10.1021/j100160a047 . [all data]

Bartmess, Scott, et al., 1979
Bartmess, J.E.; Scott, J.A.; McIver, R.T., Jr., The gas phase acidity scale from methanol to phenol, J. Am. Chem. Soc., 1979, 101, 6047. [all data]

Cumming and Kebarle, 1978
Cumming, J.B.; Kebarle, P., Summary of gas phase measurements involving acids AH. Entropy changes in proton transfer reactions involving negative ions. Bond dissociation energies D(A-H) and electron affinities EA(A), Can. J. Chem., 1978, 56, 1. [all data]

MacKay and Bohme, 1978
MacKay, G.I.; Bohme, D.K., Proton-Transfer Reactions in Nitromethane at 297K, Int. J. Mass Spectrom. Ion Phys., 1978, 26, 4, 327, https://doi.org/10.1016/0020-7381(78)80052-7 . [all data]

Wincel, 2003
Wincel, H., Gas-phase Solvation of Cl-, NO2-, CH2NO2-, CH3NO2-, and CH3NO4- by CH3NO2, Int. J. Mass Spectrom., 2003, 226, 3, 341-353, https://doi.org/10.1016/S1387-3806(03)00066-6 . [all data]

Tsuda, Yokohata, et al., 1969
Tsuda, S.; Yokohata, A.; Kawai, M., Measurement of Negative Ions formed by Electron Impact. II. The Ionization Efficiency Curves of Negative Nitro, Oxygen Atoms, and Nitromethylene Ions from Nitroalkanes., Bull. Chem. Soc. Japan, 1969, 42, 3, 614, https://doi.org/10.1246/bcsj.42.614 . [all data]

Jacox, 1994
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules, American Chemical Society, Washington, DC, 1994, 464. [all data]


Notes

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