Difluoromethane
- Formula: CH2F2
- Molecular weight: 52.0234
- IUPAC Standard InChIKey: RWRIWBAIICGTTQ-UHFFFAOYSA-N
- CAS Registry Number: 75-10-5
- 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. - Other names: Freon 32; Methane, difluoro-; Methylene fluoride; Carbon fluoride hydride; Genetron 32; Methylene difluoride; CH2F2; R 32; HFC 32; R 32 (refrigerant)
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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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias
Data compiled as indicated in comments:
B - John E. Bartmess
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 12.71 | eV | N/A | N/A | L |
Quantity | Value | Units | Method | Reference | Comment |
Proton affinity (review) | 620.5 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 589.7 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
12.70 | PE | Pullen, Carlson, et al., 1970 | RDSH |
12.72 | PE | Brundle, Robin, et al., 1970 | RDSH |
13.27 | EI | Harshbarger, Robin, et al., 1973 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
CF+ | 18.8 | ? | EI | Lifshitz and Long, 1965 | RDSH |
CF2+ | 14.8 ± 0.4 | H2 | EI | Steele, 1964 | RDSH |
CHF+ | 17.7 | ? | EI | Lifshitz and Long, 1965 | RDSH |
CHF2+ | 13.11 | H | EI | Lossing, 1972 | LLK |
CHF2+ | 13.14 ± 0.02 | H | EI | Martin, Lampe, et al., 1966 | RDSH |
CHF2+ | 13.1 | H | EI | Lifshitz and Long, 1965 | RDSH |
CH2F+ | 14.06 | F | EI | Lossing, 1972 | LLK |
CH2F+ | 15.28 | F | EI | Lifshitz and Long, 1965 | RDSH |
De-protonation reactions
CHF2- + =
By formula: CHF2- + H+ = CH2F2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1628. ± 15. | kJ/mol | CIDT | Graul and Squires, 1990 | gas phase; G2 calculations( Lee, Dyke, et al., 1998) predict ΔHacid = 399 kcal/mol; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1595. ± 15. | kJ/mol | H-TS | Graul and Squires, 1990 | gas phase; G2 calculations( Lee, Dyke, et al., 1998) predict ΔHacid = 399 kcal/mol; B |
ΔrG° | 1586. ± 25. | kJ/mol | IMRB | Sullivan, 1977 | gas phase; B |
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.
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]
Pullen, Carlson, et al., 1970
Pullen, B.P.; Carlson, T.A.; Moddeman, W.E.; Schweitzer, G.K.; Bull, W.E.,
Photoelectron spectra of methane, silane, germane, methyl fluoride, difluoromethane, and trifluoromethane,
J. Chem. Phys., 1970, 53, 768. [all data]
Brundle, Robin, et al., 1970
Brundle, C.R.; Robin, M.B.; Basch, H.,
Electronic energies and electronic structures of the fluoromethanes,
J. Chem. Phys., 1970, 53, 2196. [all data]
Harshbarger, Robin, et al., 1973
Harshbarger, W.R.; Robin, M.B.; Lassettre, E.N.,
The electron impact spectra of the fluoromethanes,
J. Electron Spectrosc. Relat. Phenom., 1973, 1, 319. [all data]
Lifshitz and Long, 1965
Lifshitz, C.; Long, F.A.,
Appearance potentials and mass spectra of fluorinated ethylenes. II. Heats offormation of fluorinated species and their positive ions,
J. Phys. Chem., 1965, 69, 3731. [all data]
Steele, 1964
Steele, W.C.,
Appearance potentials of the difluoromethylene positive ion,
J. Phys. Chem., 1964, 68, 2359. [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]
Martin, Lampe, et al., 1966
Martin, R.H.; Lampe, F.W.; Taft, R.W.,
An electron-impact study of ionization and dissociation in methoxy- and halogen- substituted methanes,
J. Am. Chem. Soc., 1966, 88, 1353. [all data]
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]
Sullivan, 1977
Sullivan, S.A.,
Thesis, Cal. Inst. Tech. thesis,, 1977. [all data]
Notes
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy IE (evaluated) Recommended ionization energy 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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