Pentafluoro ethyl radical
- Formula: C2F5
- Molecular weight: 119.0134
- IUPAC Standard InChIKey: IBPHXKCFBXEFQP-UHFFFAOYSA-N
- CAS Registry Number: 3369-48-0
- 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:
- Data at other public NIST sites:
- Options:
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, Vibrational and/or electronic energy levels, 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 C2F5+ (ion structure unspecified)
Electron affinity determinations
EA (eV) | Method | Reference | Comment |
---|---|---|---|
1.81 ± 0.15 | D-EA | Sullivan and Beauchamp, 1976 | Between tBuOH and HF; value altered from reference due to change in acidity scale; B |
1.90 ± 0.20 | EIAE | Spyrou, Sauers, et al., 1983 | From C2F6, relative to F- appearance energy; B |
2.20 ± 0.30 | EIAE | Harland and Thynne, 1973 | From n-C4F10. G3MP2B3 calculations indicate an EA of ca.1.9 eV, and HOF(A-) of -260 kcal/mol; B |
2.10 ± 0.20 | EIAE | Harland and Thynne, 1972 | From C3F8.; B |
2.2983 | EIAE | Lifshitz and Grajower, 1969 | From C3F8.; B |
2.39999 | EIAE | MacNeil and Thynne, 1969 | From C2F6; B |
>3.29997 | EIAE | Bibby and Carter, 1963 | From C3F8.; B |
>2.15 ± 0.30 | SI | Page and Goode, 1969 | The Magnetron method, lacking mass analysis, is not considered reliable.; B |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
10. ± 0.1 | EI | Fisher, Homer, et al., 1965 | RDSH |
Vibrational and/or electronic energy levels
Go To: Top, Gas phase ion energetics data, References, Notes
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: X
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
a' | CF3 a-stretch | 1273 | vs | Ar | IR | Butler and Snelson, 1980 Jacox, 1984 | |
CF3 s-stretch | 1227 | s | Ar | IR | Butler and Snelson, 1980 Jacox, 1984 | ||
CF2 s-stretch | 1117 | s | Ar | IR | Butler and Snelson, 1980 Jacox, 1984 | ||
C-C stretch | 956 | w | Ar | IR | Butler and Snelson, 1980 Jacox, 1984 | ||
CF3 s-deform. | 703 | m | Ar | IR | Butler and Snelson, 1980 Jacox, 1984 | ||
CF2 s-deform. | 694 | w | Ar | IR | Butler and Snelson, 1980 | ||
CF3 a-deform. | 514 | w | Ar | IR | Butler and Snelson, 1980 Jacox, 1984 | ||
CF2 wag | 366 | w | Ar | IR | Butler and Snelson, 1980 | ||
CF3 rock | 211 | w | Ar | IR | Butler and Snelson, 1980 | ||
a | CF3 a-stretch | 1398 | w | Ar | IR | Butler and Snelson, 1980 Jacox, 1984 | |
CF2 a-stretch | 1184 | vs | Ar | IR | Butler and Snelson, 1980 Jacox, 1984 | ||
CF3 a-deform. | 604 | w | Ar | IR | Butler and Snelson, 1980 Jacox, 1984 | ||
CF2 twist | 419 | w | Ar | IR | Butler and Snelson, 1980 Jacox, 1984 | ||
CF3 rock | 227 | w | Ar | IR | Butler and Snelson, 1980 | ||
Additional references: Jacox, 1994, page 371; Compton and Rayner, 1982
Notes
w | Weak |
m | Medium |
s | Strong |
vs | Very strong |
References
Go To: Top, Gas phase ion energetics data, Vibrational and/or electronic energy levels, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Sullivan and Beauchamp, 1976
Sullivan, S.A.; Beauchamp, J.L.,
Competition between proton transfer and elimination in the reactions of strong bases with fluoroethanes in the gas phase. Influence of base strength on reactivity,
J. Am. Chem. Soc., 1976, 98, 1160. [all data]
Spyrou, Sauers, et al., 1983
Spyrou, S.M.; Sauers, I.; Christophorou, L.G.,
Electron attachment to the perfluoroalkanes n-CnF2n+2 (n = 1-6) and i-C4F10,
J. Chem. Phys., 1983, 78, 7200. [all data]
Harland and Thynne, 1973
Harland, P.W.; Thynne, J.C.J.,
Negative ion formation by perfluoro-n-butane as the result of low energy electron impact,
Int. J. Mass Spectrom. Ion Phys., 1973, 11, 445. [all data]
Harland and Thynne, 1972
Harland, P.W.; Thynne, J.C.J.,
Dissociative electron capture in perfluoropropylene and perfluoropropane,
Int. J. Mass Spectrom. Ion Phys., 1972, 9, 253. [all data]
Lifshitz and Grajower, 1969
Lifshitz, C.; Grajower, R.,
Dissociative electron capture and dissociative ionization in perfluoropropane,
Intern. J. Mass Spectrom. Ion Phys., 1969, 3, 211. [all data]
MacNeil and Thynne, 1969
MacNeil, K.A.G.; Thynne, J.C.J.,
Ionization and Dissociation of Hexafluoroethane, and of 1,1,1-Trifluoroethane and Fluoroform, by Electron Impact,
Int. J. Mass Spectrom. Ion Phys., 1969, 2, 1, 1, https://doi.org/10.1016/0020-7381(69)80001-X
. [all data]
Bibby and Carter, 1963
Bibby, M.M.; Carter, G.,
Ionization and dissociation in some fluorocarbon gases,
J. Chem. Soc. Faraday Trans., 1963, 59, 2455. [all data]
Page and Goode, 1969
Page, F.M.; Goode, G.C.,
Negative Ions and the Magnetron., Wiley, NY, 1969. [all data]
Fisher, Homer, et al., 1965
Fisher, I.P.; Homer, J.B.; Lossing, F.P.,
Free radicals by mass spectrometry. XXXIII. Ionization potentials of CF2, CF3CF2, CF3CH2, n-C3F7, and i-C3F7 radicals,
J. Am. Chem. Soc., 1965, 87, 957. [all data]
Butler and Snelson, 1980
Butler, R.; Snelson, A.,
IR matrix isolation spectra of some perfluoro organic-free radicals Part 1. C2F5,
J. Fluorine Chem., 1980, 15, 2, 89, https://doi.org/10.1016/S0022-1139(00)82586-5
. [all data]
Jacox, 1984
Jacox, M.E.,
Infrared spectrum of the pentafluoroethyl free radical trapped in solid argon in discharge sampling experiments,
J. Phys. Chem., 1984, 88, 3, 445, https://doi.org/10.1021/j150647a024
. [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]
Compton and Rayner, 1982
Compton, D.A.C.; Rayner, D.M.,
An analysis of the vibrational spectra of pentafluoroiodoethane, n-perfluoropropyl iodide, and the corresponding perfluoroalkyl radicals, C2F5.cntdot. and n-C3F7.cntdot.,
J. Phys. Chem., 1982, 86, 9, 1628, https://doi.org/10.1021/j100206a030
. [all data]
Notes
Go To: Top, Gas phase ion energetics data, Vibrational and/or electronic energy levels, 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.