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3-NO2-bicyclo[1.1.1]pentane-1-CO2 anion


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
4.10 ± 0.13D-EAAdcock, Baran, et al., 2005Entropy of acidity reassigned at 24 eu; authors did not take symmetry changes into account

Protonation reactions

C6H6NO4- + Hydrogen cation = C6H7NO4

By formula: C6H6NO4- + H+ = C6H7NO4

Quantity Value Units Method Reference Comment
Deltar1389. ± 8.8kJ/molG+TSAdcock, Baran, et al., 2005gas phase; Entropy of acidity reassigned at 24 eu; authors did not take symmetry changes into account
Quantity Value Units Method Reference Comment
Deltar1359. ± 8.4kJ/molCIDCAdcock, Baran, et al., 2005gas phase; Entropy of acidity reassigned at 24 eu; authors did not take symmetry changes into account

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.

Adcock, Baran, et al., 2005
Adcock, W.; Baran, Y.; Filippi, A.; Speranza, M.; Trout, N.A., Polar substituent effects in the bicyclo[1.1.1]pentane ring system: Acidities of 3-substituted bicyclo[1.1.1]pentane-1-carboxylic acids, J. Org. Chem., 2005, 70, 3, 1029-1034, https://doi.org/10.1021/jo040236b . [all data]


Notes

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