Fluoromethyl radical


Reaction thermochemistry data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: José A. Martinho Simões

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Individual Reactions

C6H2FMnO5 (g) = C5MnO5 (g) + Fluoromethyl radical (g)

By formula: C6H2FMnO5 (g) = C5MnO5 (g) + CH2F (g)

Quantity Value Units Method Reference Comment
Δr33.2 ± 3.6kcal/molPIMSMartinho Simões and Beauchamp, 1990The reaction enthalpy was derived from the appearance energy of Mn(CO)5(+), 212.2 ± 1.1 kcal/mol, using Mn(CO)5(CH2F) as the neutral precursor, together with the adiabatic ionization energy of Mn(CO)5 radical, 179. ± 3.3 kcal/mol Martinho Simões and Beauchamp, 1990

Gas phase ion energetics data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
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 CH2F+ (ion structure unspecified)

Electron affinity determinations

EA (eV) Method Reference Comment
0.25 ± 0.18D-EAGraul and Squires, 1990B

Ionization energy determinations

IE (eV) Method Reference Comment
9.04 ± 0.01PEAndrews, Dyke, et al., 1984LBLHLM
8.90PEAue and Bowers, 1979LLK
9.16 ± 0.02DERReinke, Kraessig, et al., 1973LLK
8.90EILossing, 1972LLK
9.35EILossing, Kebarle, et al., 1959RDSH
9.22 ± 0.01PEAndrews, Dyke, et al., 1984Vertical value; LBLHLM

Vibrational and/or electronic energy levels

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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:   5p


 Energy 
 (cm-1
 Med.   Transition   λmin 
 (nm) 
 λmax 
 (nm) 
 References

To = 67265 ± 10 gas Hudgens, Dulcey, et al., 1987

State:   4p


 Energy 
 (cm-1
 Med.   Transition   λmin 
 (nm) 
 λmax 
 (nm) 
 References

To = 63275 ± 10 gas 4p-X 147 158 Hudgens, Dulcey, et al., 1987


Vib. 
sym. 
 No.   Approximate 
 type of mode 
 cm-1   Med.   Method   References

a1 2 CF stretch 1580 ± 20 gas MPI Hudgens, Dulcey, et al., 1987
3 CH2 scissor 1443 ± 20 gas MPI Hudgens, Dulcey, et al., 1987
b1 4 OPLA 1259 ± 20 gas MPI Hudgens, Dulcey, et al., 1987

State:   3p


 Energy 
 (cm-1
 Med.   Transition   λmin 
 (nm) 
 λmax 
 (nm) 
 References

To = 52863 ± 10 gas 3p-X 167 193 Hudgens, Dulcey, et al., 1987


Vib. 
sym. 
 No.   Approximate 
 type of mode 
 cm-1   Med.   Method   References

a1 2 CF stretch 1575 ± 20 gas MPI Hudgens, Dulcey, et al., 1987
3 CH2 scissor 1420 ± 20 gas MPI Hudgens, Dulcey, et al., 1987
b1 4 OPLA 1223 ± 20 gas MPI Hudgens, Dulcey, et al., 1987

State:   X


Vib. 
sym. 
 No.   Approximate 
 type of mode 
 cm-1   Med.   Method   References

a1 1 CH2 s-stretch 3044.38 gas IR Whitney, Dong, et al., 2006
3 CF stretch 1170.42 gas DL Yamada and Hirota, 1986
3 CF stretch 1165.4 Ne IR Wu, Chen, et al., 2010
3 CF stretch 1163 m Ar IR Jacox and Milligan, 1969
Raymond and Andrews, 1971
Jacox, 1981
b1 4 OPLA 300 ± 30 gas MW Endo, Yamada, et al., 1983
4 OPLA 260 ± 30 gas MPI Hudgens, Dulcey, et al., 1987
b2 5 CH2 a-stretch 3183.86 gas IR Whitney, Dong, et al., 2006

Additional references: Jacox, 1994, page 149; Jacox, 2003, page 176; Fessenden and Schuler, 1965; Mucha, Jennings, et al., 1977; Nolte, Wagner, et al., 1999

Notes

mMedium
oEnergy separation between the v = 0 levels of the excited and electronic ground states.

References

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, NIST Free Links, NIST Subscription Links, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Martinho Simões and Beauchamp, 1990
Martinho Simões, J.A.; Beauchamp, J.L., Chem. Rev., 1990, 90, 629. [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]

Andrews, Dyke, et al., 1984
Andrews, L.; Dyke, J.M.; Jonathan, N.; Keddar, N.; Morris, A.; Ridha, A., A photoelectron spectroscopic study of the ground states of CH2F+ and CD2F+, J. Phys. Chem., 1984, 88, 2364. [all data]

Aue and Bowers, 1979
Aue, D.H.; Bowers, M.T., Chapter 9. Stabilities of positive ions from equilibrium gas phase basicity measurements in Ions Chemistry,, ed. M.T. Bowers, 1979. [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]

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]

Lossing, Kebarle, et al., 1959
Lossing, F.P.; Kebarle, P.; DeSousa, J.B., Ionization potentials of alkyl and halogenated alkyl free radicals, 1959. [all data]

Hudgens, Dulcey, et al., 1987
Hudgens, J.W.; Dulcey, C.S.; Long, G.R.; Bogan, D.J., Multiphoton ionization spectra of radical products in the F(2P)+ketene system: Spectral assignments and formation reaction for CH2F, observation of CF and CH, J. Chem. Phys., 1987, 87, 8, 4546, https://doi.org/10.1063/1.452867 . [all data]

Whitney, Dong, et al., 2006
Whitney, E.S.; Dong, F.; Nesbitt, D.J., Jet-cooled infrared spectroscopy in slit supersonic discharges: Symmetric and antisymmetric CH[sub 2] stretching modes of fluoromethyl (CH[sub 2]F) radical, J. Chem. Phys., 2006, 125, 5, 054304, https://doi.org/10.1063/1.2208613 . [all data]

Yamada and Hirota, 1986
Yamada, C.; Hirota, E., Infrared diode laser spectroscopy of the ν3 band of the fluoromethyl radical, CH2F, J. Mol. Spectrosc., 1986, 116, 1, 101, https://doi.org/10.1016/0022-2852(86)90255-9 . [all data]

Wu, Chen, et al., 2010
Wu, Y.-J.; Chen, H.-F.; Chou, S.-L.; Lin, M.-Y.; Cheng, B.M., Vacuum-ultraviolet photolysis of H3CF in solid neon: Infrared spectra of HCF and CF+, Chem. Phys. Lett., 2010, 497, 1-3, 12, https://doi.org/10.1016/j.cplett.2010.07.087 . [all data]

Jacox and Milligan, 1969
Jacox, M.E.; Milligan, D.E., Matrix-Isolation Study of the Vacuum-Ultraviolet Photolysis of Methyl Fluoride. The Infrared Spectra of the Free Radicals CF, HCF, and H2CF, J. Chem. Phys., 1969, 50, 8, 3252, https://doi.org/10.1063/1.1671548 . [all data]

Raymond and Andrews, 1971
Raymond, J.I.; Andrews, L., Matrix reactions of fluorohalomethanes with alkali metals. Infrared spectrum and bonding in the monofluoromethyl radical, J. Phys. Chem., 1971, 75, 21, 3235, https://doi.org/10.1021/j100690a007 . [all data]

Jacox, 1981
Jacox, M.E., Hydrogen-atom abstraction by atomic fluorine. Vibrational spectrum of the F+CH3F reaction products trapped in solid argon, Chem. Phys., 1981, 59, 1-2, 199, https://doi.org/10.1016/0301-0104(81)80100-0 . [all data]

Endo, Yamada, et al., 1983
Endo, Y.; Yamada, C.; Saito, S.; Hirota, E., The microwave spectrum of the fluoromethyl radical, CH2F, J. Chem. Phys., 1983, 79, 4, 1605, https://doi.org/10.1063/1.446006 . [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]

Jacox, 2003
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules: supplement B, J. Phys. Chem. Ref. Data, 2003, 32, 1, 1-441, https://doi.org/10.1063/1.1497629 . [all data]

Fessenden and Schuler, 1965
Fessenden, R.W.; Schuler, R.H., ESR Spectra and Structure of the Fluorinated Methyl Radicals, J. Chem. Phys., 1965, 43, 8, 2704, https://doi.org/10.1063/1.1697199 . [all data]

Mucha, Jennings, et al., 1977
Mucha, J.A.; Jennings, D.A.; Evenson, K.M.; Hougen, J.T., Far-infrared laser magnetic resonance spectrum of CH2F, J. Mol. Spectrosc., 1977, 68, 1, 122, https://doi.org/10.1016/0022-2852(77)90427-1 . [all data]

Nolte, Wagner, et al., 1999
Nolte, J.; Wagner, H.G.; Sears, T.J.; Temps, F., The Far-Infrared Laser Magnetic Resonance Spectrum of CH2F, J. Mol. Spectrosc., 1999, 195, 1, 43, https://doi.org/10.1006/jmsp.1999.7813 . [all data]


Notes

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