3-Nitrobenzyl radical
- Formula: C7H6NO2
- Molecular weight: 136.1280
- IUPAC Standard InChI: InChI=1S/C7H6NO2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H2
- IUPAC Standard InChIKey: PRJWEPRQDKFJHV-UHFFFAOYSA-N
- CAS Registry Number: 61219-63-4
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Options:
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:
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
B - John E. Bartmess
View reactions leading to C7H6NO2+ (ion structure unspecified)
Electron affinity determinations
| EA (eV) | Method | Reference | Comment |
|---|---|---|---|
| 1.59 ± 0.16 | D-EA | Caldwell and Bartmess | value altered from reference due to change in acidity scale; B |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 8.6 ± 0.1 | EI | Harrison, Kebarle, et al., 1961 | RDSH |
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.
Caldwell and Bartmess
Caldwell, G.; Bartmess, J.E.,
, Unpublished results. [all data]
Harrison, Kebarle, et al., 1961
Harrison, A.G.; Kebarle, P.; Lossing, F.P.,
Free radicals by mass spectrometry. XXI. The ionization potentials of some meta and para substituted benzyl radicals,
J. Am. Chem. Soc., 1961, 83, 777. [all data]
Notes
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
EA Electron affinity - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.