HCF radical anion
- Formula: CHF-
- Molecular weight: 32.0176
- CAS Registry Number: 71267-42-0
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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 by: John E. Bartmess
Protonation reactions
CHF- + = CH2F
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 1668. ± 6.3 | kJ/mol | G+TS | Born, Ingemann, et al., 1994 | gas phase; Between EtNH2 and Me2NH |
| ΔrH° | 1650. ± 22. | kJ/mol | D-EA | Gilles, Ervin, et al., 1992 | gas phase; Triplet state of neutral: 14.9±0.4 kcal/mol higher than singlet |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 1634. ± 5.9 | kJ/mol | IMRB | Born, Ingemann, et al., 1994 | gas phase; Between EtNH2 and Me2NH |
| ΔrG° | 1616. ± 22. | kJ/mol | H-TS | Gilles, Ervin, et al., 1992 | gas phase; Triplet state of neutral: 14.9±0.4 kcal/mol higher than singlet |
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: ?
| Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
|---|---|---|---|---|---|---|---|
| Td = 4370 ± 40 | gas | Murray, Leopold, et al., 1988 | |||||
| Gilles, Ervin, et al., 1992 | |||||||
State: X
| Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
|---|---|---|---|---|---|---|---|
| a' | 3 | CF stretch | 720 ± 25 | gas | PE | Murray, Leopold, et al., 1988 Gilles, Ervin, et al., 1992 | |
Additional references: Jacox, 1994, page 47
Notes
| d | Photodissociation threshold |
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.
Born, Ingemann, et al., 1994
Born, M.; Ingemann, S.; Nibbering, N.M.M.,
Heats of formation of mono-halogen-substituted carbenes. Stability and reactivity of CHX(center dot-) (X=F, Cl, Pr, and I) radical anions,
J. Am. Chem. Soc., 1994, 116, 16, 7210, https://doi.org/10.1021/ja00095a025
. [all data]
Gilles, Ervin, et al., 1992
Gilles, M.K.; Ervin, K.M.; Ho, J.; Lineberger, W.C.,
Negative Ion Photoelectron Spectroscopy of HCF-, HCCl-, HCBr-, and HCI- - Photoelectron Angular Distributions and Neutral Triplet Excitation,
J. Phys. Chem., 1992, 96, 3, 1130, https://doi.org/10.1021/j100182a021
. [all data]
Murray, Leopold, et al., 1988
Murray, K.K.; Leopold, D.G.; Miller, T.M.; Lineberger, W.C.,
Photoelectron Spectroscopy of the Halocarbene Anions HCF-, HCCl-, HCBr-, HCI-, CF2-, and CCl2-,
J. Chem. Phys., 1988, 89, 9, 5442, https://doi.org/10.1063/1.455596
. [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]
Notes
Go To: Top, Gas phase ion energetics data, Vibrational and/or electronic energy levels, References
- Symbols used in this document:
ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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