Home Symbol which looks like a small house Up Solid circle with an upward pointer in it

Nitroethylene

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.


Gas phase ion energetics data

Go To: Top, 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:
B - John E. Bartmess
LL - Sharon G. Lias and Joel F. Liebman

Electron affinity determinations

EA (eV) Method Reference Comment
>1.64784IMRBBartmess, 1980Computations indicate HOF(A-) ca. -10, EA ca. 19 kcal/mol; B

Ionization energy determinations

IE (eV) Method Reference Comment
11.0ESTTakhistov and Ponomarev, 1994LL
10.85PEPasa-Tolic, Klasine, et al., 1990LL

De-protonation reactions

C2H2NO2- + Hydrogen cation = Nitroethylene

By formula: C2H2NO2- + H+ = C2H3NO2

Quantity Value Units Method Reference Comment
Deltar1515. ± 19.kJ/molEIAEShiga, Yamaoka, et al., 1972gas phase; From CH2=CHNO2; B
Deltar<1563.1kJ/molG+TSBartmess, 1980gas phase; B
Quantity Value Units Method Reference Comment
Deltar1483. ± 22.kJ/molH-TSShiga, Yamaoka, et al., 1972gas phase; From CH2=CHNO2; B
Deltar<1531.3kJ/molIMRBBartmess, 1980gas phase; B

References

Go To: Top, 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.

Bartmess, 1980
Bartmess, J.E., Solvent effects on ion-molecule reactions. Vinyl anions vs. conjugate addition, J. Am. Chem. Soc., 1980, 102, 2483. [all data]

Takhistov and Ponomarev, 1994
Takhistov, V.V.; Ponomarev, D.A., Isodesmic reactions and thermochemistry of ions, Org. Mass Spectrom., 1994, 29, 395. [all data]

Pasa-Tolic, Klasine, et al., 1990
Pasa-Tolic, L.; Klasine, L.; McGlynn, S.P., The HeI PE spectrum and electronic structure of nitroethene, Chem. Phys. Lett., 1990, 170, 113. [all data]

Shiga, Yamaoka, et al., 1972
Shiga, T.; Yamaoka, H.; Arakawa, K.; Suguira, T., A negative ion-molecule reaction in nitroethylene, Bull. Chem. Soc. Jpn., 1972, 45, 2065. [all data]


Notes

Go To: Top, Gas phase ion energetics data, References