Methyl radical
- Formula: CH3
- Molecular weight: 15.0345
- IUPAC Standard InChIKey: WCYWZMWISLQXQU-UHFFFAOYSA-N
- CAS Registry Number: 2229-07-4
- 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 evaluated as indicated in comments:
L - Sharon G. Lias
Data compiled as indicated in comments:
B - John E. Bartmess
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
View reactions leading to CH3+ (ion structure unspecified)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 9.84 ± 0.01 | eV | N/A | N/A | L |
Quantity | Value | Units | Method | Reference | Comment |
ΔfH°(+) ion | 1095. | kJ/mol | N/A | N/A | |
Quantity | Value | Units | Method | Reference | Comment |
ΔfH(+) ion,0K | 1099. | kJ/mol | N/A | N/A |
Electron affinity determinations
EA (eV) | Method | Reference | Comment |
---|---|---|---|
0.080 ± 0.030 | LPES | Ellison, Engelking, et al., 1978 | B |
<0.499990 | PD | Feldman, Rackwitz, et al., 1977 | B |
<0.6244 ± 0.0053 | D-EA | Bohme, Lee-Ruff, et al., 1972 | B |
0.12983 | N/A | Check, Faust, et al., 2001 | FeBr3; ; ΔS(EA)=9.3; B |
1.12747 | SI | Page, 1972 | The Magnetron method, lacking mass analysis, is not considered reliable.; B |
1.0 ± 1.1 | SI | Page and Goode, 1969 | The Magnetron method, lacking mass analysis, is not considered reliable.; B |
1.07543 | SI | Gaines and Page, 1968 | The Magnetron method, lacking mass analysis, is not considered reliable.; B |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
9.843 ± 0.002 | EVAL | Berkowitz, Ellison, et al., 1994 | LL |
9.84 | DER | Nagano, Murthy, et al., 1993 | LL |
9.84 ± 0.02 | PE | Houle and Beauchamp, 1979 | LLK |
9.84 ± 0.05 | EI | Reeher, Flesch, et al., 1976 | LLK |
9.6 ± 0.3 | EI | Kaposi, Riedel, et al., 1975 | LLK |
9.837 ± 0.005 | PE | Golob, Jonathan, et al., 1973 | LLK |
9.86 ± 0.04 | PE | Potts, Glenn, et al., 1972 | LLK |
9.81 ± 0.02 | PE | Jonathan, 1972 | LLK |
9.84 ± 0.03 | EI | Lossing and Semeluk, 1970 | RDSH |
9.87 ± 0.05 | EI | Williams and Hamill, 1968 | RDSH |
9.83 ± 0.01 | PI | Chupka and Lifshitz, 1968 | RDSH |
9.82 ± 0.04 | PI | Elder, Giese, et al., 1962 | RDSH |
9.842 ± 0.002 | S | Herzberg and Shoosmith, 1956 | RDSH |
9.840 ± 0.005 | PE | Dyke, Jonathan, et al., 1976 | Vertical value; LLK |
9.82 ± 0.02 | PE | Koenig, Balle, et al., 1975 | Vertical value; LLK |
9.86 ± 0.04 | PE | Potts, Glenn, et al., 1972, 2 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
CH+ | 15.58 ± 0.30 | H2 | EI | Waldron, 1956 | RDSH |
CH2+ | 15.09 ± 0.03 | H | PI | Chupka and Lifshitz, 1968 | RDSH |
Cation De-protonation reactions
CH2- + =
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1711.7 ± 1.7 | kJ/mol | D-EA | Leopold, Murray, et al., 1985 | gas phase; Singlet-triplet splitting of CH2 = 9.0 kcal; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1679.5 ± 2.0 | kJ/mol | H-TS | Leopold, Murray, et al., 1985 | gas phase; Singlet-triplet splitting of CH2 = 9.0 kcal; 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.
Ellison, Engelking, et al., 1978
Ellison, G.B.; Engelking, P.C.; Lineberger, W.C.,
An experimental determination of the geometry and electron affinity of CH3,
J. Am. Chem. Soc., 1978, 100, 2556. [all data]
Feldman, Rackwitz, et al., 1977
Feldman, D.; Rackwitz, R.; Kaiser, H.J.; Heincke, E.,
Photodetachment bei einigen neagtiven molekulionen: P2-, As2-, CH2-, CH3-, S3-,
Z. Naturforsch. A:, 1977, 32, 600. [all data]
Bohme, Lee-Ruff, et al., 1972
Bohme, D.K.; Lee-Ruff, E.; Young, L.B.,
Acidity order of selected bronsted acids in the gas phase at 300K,
J. Am. Chem. Soc., 1972, 94, 5153. [all data]
Check, Faust, et al., 2001
Check, C.E.; Faust, T.O.; Bailey, J.M.; Wright, B.J.; Gilbert, T.M.; Sunderlin, L.S.,
Addition of Polarization and Diffuse Functions to the LANL2DZ Basis Set for P-Block Elements,
J. Phys. Chem. A,, 2001, 105, 34, 8111, https://doi.org/10.1021/jp011945l
. [all data]
Page, 1972
Page, F.M.,
Experimental determination of the electron affinities of inorganic radicals,
Adv. Chem. Ser., 1972, 36, 68. [all data]
Page and Goode, 1969
Page, F.M.; Goode, G.C.,
Negative Ions and the Magnetron., Wiley, NY, 1969. [all data]
Gaines and Page, 1968
Gaines, A.F.; Page, F.M.,
The Stabilities of Negative Ions.I. The Methyl-, Diphenylmethyl, and Triphenylmethyl Negative Ions,
Int. J. Mass Spectrom. Ion Phys., 1968, 1, 4-5, 315, https://doi.org/10.1016/0020-7381(68)85008-9
. [all data]
Berkowitz, Ellison, et al., 1994
Berkowitz, J.; Ellison, G.B.; Gutman, D.,
Three methods to measure RH bond energies,
J. Phys. Chem., 1994, 98, 2744. [all data]
Nagano, Murthy, et al., 1993
Nagano, Y.; Murthy, S.; Beauchamp, J.L.,
Thermochemical properties and gas-phase ion chemistry of phenylsilane investigated by FT-ICR spectrometry. Identification of parent- and fragment-ion structural isomers by their specific reactivities,
J. Am. Chem. Soc., 1993, 115, 10805. [all data]
Houle and Beauchamp, 1979
Houle, F.A.; Beauchamp, J.L.,
Photoelectron spectroscopy of methyl, ethyl, isopropyl, and tert-butyl radicals. Implications for the thermochemistry and structures of the radicals and their corresponding carbonium ions,
J. Am. Chem. Soc., 1979, 101, 4067. [all data]
Reeher, Flesch, et al., 1976
Reeher, J.R.; Flesch, G.D.; Svec, H.J.,
The mass spectra and ionization potentials of the neutral fragments produced during the electron bombardment of aromatic compounds,
Org. Mass Spectrom., 1976, 11, 154. [all data]
Kaposi, Riedel, et al., 1975
Kaposi, O.; Riedel, M.; Sanchez, G.R.,
Mass-spectrometric study of electron-impact and heterogeneous pyrolytic decomposition of methyl bromide,
Acta Chim. Acad. Sci. Hung., 1975, 85, 361. [all data]
Golob, Jonathan, et al., 1973
Golob, L.; Jonathan, N.; Morris, A.; Okuda, M.; Ross, K.J.,
The first ionization potential of the methyl radical as determined by photoelectron spectroscopy,
J. Electron Spectrosc. Relat. Phenom., 1973, 1, 506. [all data]
Potts, Glenn, et al., 1972
Potts, A.W.; Glenn, K.G.; Price, W.C.,
General discussion,
Faraday Discuss. Chem. Soc., 1972, 54, 64. [all data]
Jonathan, 1972
Jonathan, N.,
General discussion,
Faraday Discuss. Chem. Soc., 1972, 54, 64. [all data]
Lossing and Semeluk, 1970
Lossing, F.P.; Semeluk, G.P.,
Free radicals by mass spectrometry. XLII.Ionization potentials and ionic heats of formation for C1-C4 alkyl radicals,
Can. J. Chem., 1970, 48, 955. [all data]
Williams and Hamill, 1968
Williams, J.M.; Hamill, W.H.,
Ionization potentials of molecules and free radicals and appearance potentials by electron impact in the mass spectrometer,
J. Chem. Phys., 1968, 49, 4467. [all data]
Chupka and Lifshitz, 1968
Chupka, W.A.; Lifshitz, C.,
Photoionization of CH3+; heat of formation of CH2,
J. Chem. Phys., 1968, 48, 1109. [all data]
Elder, Giese, et al., 1962
Elder, F.A.; Giese, C.; Steiner, B.; Inghram, M.,
Photo-ionization of alkyl free radicals,
J. Chem. Phys., 1962, 36, 3292. [all data]
Herzberg and Shoosmith, 1956
Herzberg, G.; Shoosmith, J.,
Absorption spectrum of free CH3 and CD3 radicals,
Can. J. Phys., 1956, 34, 523. [all data]
Dyke, Jonathan, et al., 1976
Dyke, J.; Jonathan, N.; Lee, E.; Morris, A.,
Vacuum ultraviolet photoelectron spectroscopy of transient species,
J. Chem. Soc. Faraday Trans. 2, 1976, 72, 1385. [all data]
Koenig, Balle, et al., 1975
Koenig, T.; Balle, T.; Snell, W.,
Helium(I) photoelectron spectra of organic radicals,
J. Am. Chem. Soc., 1975, 97, 662. [all data]
Potts, Glenn, et al., 1972, 2
Potts, A.W.; Glenn, K.G.; Price, W.C.,
General discussion,
Faraday Discuss. Chem. Soc., 1972, 54, 65. [all data]
Waldron, 1956
Waldron, J.D.,
The ionization and dissociation of methyl radicals on electron impact,
Metropolitan Vickers Gaz., 1956, 27, 66. [all data]
Leopold, Murray, et al., 1985
Leopold, D.G.; Murray, K.K.; Miller, A.E.S.; Lineberger, W.C.,
Methylene: A study of the X3B1 and the 1A1 states by photoelectron spectroscopy of CH2- and CD2-,
J. Chem. Phys., 1985, 83, 4849. [all data]
Notes
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy EA Electron affinity IE (evaluated) Recommended ionization energy ΔfH(+) ion,0K Enthalpy of formation of positive ion at 0K 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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