Fluoromethylidyne
- Formula: CF
- Molecular weight: 31.0091
- IUPAC Standard InChIKey: ISOSXCFSIDVNNC-UHFFFAOYSA-N
- CAS Registry Number: 3889-75-6
- Chemical structure:
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Reaction thermochemistry data
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: John E. Bartmess
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
By formula: (CF2- • 4294967295CF) + CF = CF2-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 51.2 ± 2.3 | kcal/mol | N/A | Schwartz, Davico, et al., 1999 | gas phase; Neutral carbene triplet 54±3 kcal/mol above singlet |
ΔrH° | 46.6 ± 3.6 | kcal/mol | Ther | Murray, Leopold, et al., 1988 | gas phase; Singlet-triplet splitting in neutral > 50 kcal/mol |
(CAS Reg. No. 226407-20-1 • 4294967295) + = CAS Reg. No. 226407-20-1
By formula: (CAS Reg. No. 226407-20-1 • 4294967295CF) + CF = CAS Reg. No. 226407-20-1
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 21.9 ± 1.1 | kcal/mol | CIDT | Jesinger and Squires, 1999 | gas phase |
Gas phase ion energetics data
Go To: Top, Reaction thermochemistry data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data evaluated as indicated in comments:
L - Sharon G. Lias
Data compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
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 CF+ (ion structure unspecified)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 9.11 ± 0.01 | eV | N/A | N/A | L |
Electron affinity determinations
EA (eV) | Method | Reference | Comment |
---|---|---|---|
>3.30 ± 0.30 | EIAE | Thynne and MacNeil, 1970 | From C2F4. G3MP2B3 calculations indicate an EA of ca. 0.4 eV; B |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
9.4 ± 0.4 | EI | Tarnovsky and Becker, 1993 | LL |
9.11 ± 0.01 | PE | Dyke, Lewis, et al., 1984 | LBLHLM |
9.0 ± 0.2 | PE | Hepburn, Trevor, et al., 1982 | LBLHLM |
9.20 | EVAL | Huber and Herzberg, 1979 | LLK |
9.2 ± 0.1 | EI | Hildenbrand, 1975 | LLK |
9.24 | DER | Reinke, Kraessig, et al., 1973 | LLK |
~8.91 ± 0.12 | S | Carroll and Grennan, 1970 | RDSH |
9.23 ± 0.08 | DER | Walter, Lifshitz, et al., 1969 | RDSH |
~8.91 | S | Johns and Barrow, 1958 | RDSH |
9.55 ± 0.01 | PE | Dyke, Lewis, et al., 1984 | Vertical value; LBLHLM |
References
Go To: Top, Reaction thermochemistry data, 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.
Schwartz, Davico, et al., 1999
Schwartz, R.L.; Davico, G.E.; Ramond, T.M.; Lineberger, W.C.,
Singlet-triplet splittings in CX2 (X = F, Cl, Br, I) dihalocarbenes via negative ion photoelectron spectroscopy,
J. Phys. Chem. A, 1999, 103, 41, 8213-8221, https://doi.org/10.1021/jp992214c
. [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]
Jesinger and Squires, 1999
Jesinger, R.A.; Squires, R.R.,
Carbyne thermochemistry from energy-resolved collision-induced dissociation. The heats of formation of CH, CF, and CCl,
Int. J. Mass Spectrom., 1999, 187, 745-757, https://doi.org/10.1016/S1387-3806(98)14182-9
. [all data]
Thynne and MacNeil, 1970
Thynne, J.C.J.; MacNeil, K.A.G.,
Ionisation of Tetrafluoroethylene by Electron Impact,
Int. J. Mass Spectrom. Ion Phys., 1970, 5, 3-4, 329, https://doi.org/10.1016/0020-7381(70)80026-2
. [all data]
Tarnovsky and Becker, 1993
Tarnovsky, V.; Becker, K.,
Absolute partial cross sections for the parent ionization of the CFx (x = 1-3) free radicals by electron impact,
J. Chem. Phys., 1993, 98, 7868. [all data]
Dyke, Lewis, et al., 1984
Dyke, J.M.; Lewis, A.E.; Morris, A.,
A photoelectron spectroscopic study of the ground state of CF+ via the ionization process CF+(X1Σ+)←CF(X2Π),
J. Chem. Phys., 1984, 80, 1382. [all data]
Hepburn, Trevor, et al., 1982
Hepburn, J.W.; Trevor, D.J.; Pollard, J.E.; Shirley, D.A.; Lee, Y.T.,
Multiphoton ionization photoelectron spectroscopy of CCl2F2 and CCl3F,
J. Chem. Phys., 1982, 76, 4287. [all data]
Huber and Herzberg, 1979
Huber, K.P.; Herzberg, G.,
Molecular Spectra and Molecular Structure. IV. Constants of Diatomic Molecules,, Van Nostrand Reinhold Co., 1979, ,1. [all data]
Hildenbrand, 1975
Hildenbrand, D.L.,
Vertical ionization potential of the CF2 radical,
Chem. Phys. Lett., 1975, 32, 30. [all data]
Reinke, Kraessig, et al., 1973
Reinke, D.; Kraessig, R.; Baumgartel, H.,
Photoreactions of small organic molecules,
Z. Naturforsch. A:, 1973, 28, 1021. [all data]
Carroll and Grennan, 1970
Carroll, P.K.; Grennan, T.P.,
The B-X system of CF,
J. Phys. B:, 1970, 3, 865. [all data]
Walter, Lifshitz, et al., 1969
Walter, T.A.; Lifshitz, C.; Chupka, W.A.; Berkowitz, J.,
Mass-spectrometric study of the photoionization of C2F4 and CF4,
J. Chem. Phys., 1969, 51, 3531. [all data]
Johns and Barrow, 1958
Johns, J.W.C.; Barrow, R.F.,
The band spectrum of silicon monofluoride, SiF,
Proc. Phys. Soc. (London), 1958, 71, 476. [all data]
Notes
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
EA Electron affinity IE (evaluated) Recommended ionization energy ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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