Fluoromethylene
- Formula: CHF
- Molecular weight: 32.0170
- IUPAC Standard InChIKey: YUCFVHQCAFKDQG-UHFFFAOYSA-N
- CAS Registry Number: 13453-52-6
- 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
(CAS Reg. No. 61923-51-1 • 4294967295) + = CAS Reg. No. 61923-51-1
By formula: (CAS Reg. No. 61923-51-1 • 4294967295CHF) + CHF = CAS Reg. No. 61923-51-1
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 21.6 ± 3.7 | kcal/mol | N/A | Poutsma, Paulino, et al., 1997 | gas phase; Relative to MeOH at ΔGacid=375.1 |
ΔrH° | 22.7 ± 2.2 | kcal/mol | CIDT | Poutsma, Paulino, et al., 1997 | 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:
HL - Edward P. Hunter and Sharon G. Lias
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
B - John E. Bartmess
View reactions leading to CHF+ (ion structure unspecified)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 10.06 ± 0.05 | eV | N/A | N/A | L |
Quantity | Value | Units | Method | Reference | Comment |
Proton affinity (review) | 190.7 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 182.6 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Electron affinity determinations
EA (eV) | Method | Reference | Comment |
---|---|---|---|
0.5420 ± 0.0050 | LPES | Gilles, Ervin, et al., 1992 | Triplet state of neutral: 14.9±0.4 kcal/mol higher than singlet; B |
0.5570 ± 0.0050 | LPES | Murray, Leopold, et al., 1988 | Singlet-triplet splitting in neutral 11.4±0.3 kcal/mol; B |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
10.06 ± 0.05 | LS | Irikura, Hudgens, et al., 1995 | LL |
10.4 | EI | Goto, Nakamura, et al., 1994 | LL |
10.49 | DER | Lias, Karpas, et al., 1985 | LBLHLM |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
CF+ | 16.6 | H | EI | Goto, Nakamura, et al., 1994 | LL |
CH+ | 24.2 | F | EI | Goto, Nakamura, et al., 1994 | LL |
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.
Poutsma, Paulino, et al., 1997
Poutsma, J.C.; Paulino, J.A.; Squires, R.R.,
Absolute Heats of Formation of CHCl, CHF, and CClF. A Gas-Phase Experimental and G2 Theoretical Study.,
J. Phys. Chem. A, 1997, 101, 29, 5327, https://doi.org/10.1021/jp970778f
. [all data]
Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G.,
Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update,
J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018
. [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]
Irikura, Hudgens, et al., 1995
Irikura, K.K.; Hudgens, J.W.; Johnson, R.D., III,
Spectroscopy of the fluoromethylene radicals HCF and DCF by 2+1 resonance enhanced multiphoton ionization spectroscopy and by ab initio calculation,
J. Chem. Phys., 1995, 103, 1303. [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, Karpas, et al., 1985
Lias, S.G.; Karpas, Z.; Liebman, J.F.,
Halomethylenes: Effects of halogen substitution on absolute heats of formation,
J. Am. Chem. Soc., 1985, 107, 6089. [all data]
Notes
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy 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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