Difluoromethyl radical
- Formula: CHF2
- Molecular weight: 51.0154
- IUPAC Standard InChIKey: JNCMHMUGTWEVOZ-UHFFFAOYSA-N
- CAS Registry Number: 2670-13-5
- Chemical structure:
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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:
LL - Sharon G. Lias and Joel F. Liebman
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
B - John E. Bartmess
View reactions leading to CHF2+ (ion structure unspecified)
Electron affinity determinations
EA (eV) | Method | Reference | Comment |
---|---|---|---|
1.21 ± 0.16 | D-EA | Graul and Squires, 1990 | G2 calculations( Lee, Dyke, et al., 1998) predict ΔHacid = 399 kcal/mol; B |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
10.5 | EI | Goto, Nakamura, et al., 1994 | LL |
8.78 | DER | Lias, Bartmess, et al., 1988 | LL |
8.74 | PE | Aue and Bowers, 1979 | LLK |
9.45 | DER | Syrvatka, Gil'burd, et al., 1973 | LLK |
≤8.90 | EI | Lossing, 1972 | LLK |
9.45 | EI | Lossing, Kebarle, et al., 1959 | RDSH |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
CF+ | 20.5 | H+F | EI | Goto, Nakamura, et al., 1994 | LL |
CF+ | 14.6 | HF | EI | Goto, Nakamura, et al., 1994 | LL |
CF2+ | 17.2 | H | EI | Goto, Nakamura, et al., 1994 | LL |
CH+ | 28.0 | 2F | EI | Goto, Nakamura, et al., 1994 | LL |
CH+ | 27.2 | F2 | EI | Goto, Nakamura, et al., 1994 | LL |
CHF+ | 14.3 | F | EI | Goto, Nakamura, et al., 1994 | LL |
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.
Graul and Squires, 1990
Graul, S.T.; Squires, R.R.,
Gas-Phase Acidities Derived from Threshold Energies for Activated Reactions,
J. Am. Chem. Soc., 1990, 112, 7, 2517, https://doi.org/10.1021/ja00163a007
. [all data]
Lee, Dyke, et al., 1998
Lee, E.P.F.; Dyke, J.M.; Mayhew, C.A.,
Study of the OH-+CH2F2 reaction by selected ion flow tube experiments and ab initio calculations,
J. Phys. Chem. A, 1998, 102, 43, 8349-8354, https://doi.org/10.1021/jp982224y
. [all data]
Goto, Nakamura, et al., 1994
Goto, M.; Nakamura, K.; Toyoda, H.; Sugai, H.,
Cross section measurements for electron-impact dissociation of CHF3 into neutral and ionic fragments,
Jpn. J. Appl. Phys. Part 1, 1994, 33, 3602. [all data]
Lias, Bartmess, et al., 1988
Lias, S.G.; Bartmess, J.E.; Liebman, J.F.; Holmes, J.L.; Levin, R.D.; Mallard, W.G.,
Gas-phase ion and neutral thermochemistry,
J. Phys. Chem. Ref. Data, Suppl. 1, 1988, 17, 1-861. [all data]
Aue and Bowers, 1979
Aue, D.H.; Bowers, M.T.,
Chapter 9. Stabilities of positive ions from equilibrium gas phase basicity measurements
in Ions Chemistry,, ed. M.T. Bowers, 1979. [all data]
Syrvatka, Gil'burd, et al., 1973
Syrvatka, B.G.; Gil'burd, M.M.; Bel'ferman, A.L.,
Ion-dissociative processes of some halogen containing butadienes and particles structure,
Zh. Org. Khim., 1973, 9, 1117. [all data]
Lossing, 1972
Lossing, F.P.,
Free radicals by mass spectrometry. XLIV. Ionization potentials bond dissociation energies for chloro-and fluoromethyl radicals,
Bull. Soc. Chim. Belg., 1972, 81, 125. [all data]
Lossing, Kebarle, et al., 1959
Lossing, F.P.; Kebarle, P.; DeSousa, J.B.,
Ionization potentials of alkyl and halogenated alkyl free radicals, 1959. [all data]
Notes
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy EA Electron affinity - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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