Methyl radical

• Formula: CH₃
• Molecular weight: 15.0345
• IUPAC Standard InChI: InChI=1S/CH3/h1H3 Copy

  
• IUPAC Standard InChIKey: WCYWZMWISLQXQU-UHFFFAOYSA-N Copy
• CAS Registry Number: 2229-07-4
• 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.
• Isotopologues:
  • Methyl-d3 radical
  • Methyl-d3 radical
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Gas phase thermochemistry data
  • Reaction thermochemistry data
  • Gas phase ion energetics data
  • Vibrational and/or electronic energy levels
  • References
  • Notes
• Other data available:
  • Ion clustering data
• Data at other public NIST sites:
  • Electron-Impact Ionization Cross Sections (on physics web site)
  • Gas Phase Kinetics Database
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• NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data)

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Gas phase 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.

Gas Phase Heat Capacity (Shomate Equation)

C_p° = A + B*t + C*t² + D*t³ + E/t²
H° − H°_298.15= A*t + B*t²/2 + C*t³/3 + D*t⁴/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t²/2 + D*t³/3 − E/(2*t²) + G
    C_p = heat capacity (cal/mol*K)
    H° = standard enthalpy (kcal/mol)
    S° = standard entropy (cal/mol*K)
    t = temperature (K) / 1000.

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View table.

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: Robert C. Dunbar

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: Fe⁺ + CH₃ = (Fe⁺ • CH₃)

 +  = ( • )

By formula: Ni⁺ + CH₃ = (Ni⁺ • CH₃)

 +  = ( • )

By formula: Co⁺ + CH₃ = (Co⁺ • CH₃)

( • 2) +  = ( • 3)

By formula: (Si⁺ • 2CH₃) + CH₃ = (Si⁺ • 3CH₃)

( • 3) +  = ( • 4)

By formula: (Si⁺ • 3CH₃) + CH₃ = (Si⁺ • 4CH₃)

( • ) +  = ( • 2)

By formula: (Si⁺ • CH₃) + CH₃ = (Si⁺ • 2CH₃)

 +  = ( • )

By formula: Si⁺ + CH₃ = (Si⁺ • CH₃)

 +  = ( • )

By formula: La⁺ + CH₃ = (La⁺ • CH₃)

 +  = ( • )

By formula: Y⁺ + CH₃ = (Y⁺ • CH₃)

 +  = ( • )

By formula: Lu⁺ + CH₃ = (Lu⁺ • CH₃)

 +  = ( • )

By formula: Cu⁺ + CH₃ = (Cu⁺ • CH₃)

 +  = ( • )

By formula: Cr⁺ + CH₃ = (Cr⁺ • CH₃)

 +  = ( • )

By formula: Mn⁺ + CH₃ = (Mn⁺ • CH₃)

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 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)

Electron affinity determinations

Ionization energy determinations

Appearance energy determinations

Cation De-protonation reactions

CH₂^- +  =

By formula: CH₂^- + H⁺ = CH₃⁺

Vibrational and/or electronic energy levels

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, 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: Marilyn E. Jacox

State:   4f ²E'?

State:   4p ²A₂

State:   3d ²A₁'

State:   3d ²E

State:   3p ²A₂

State:   3s ²A₁'

State:   X

Additional references: Jacox, 1994, page 125; Jacox, 1998, page 214; Jacox, 2003, page 156; Frye, Sears, et al., 1988; Parker, Wang, et al., 1989; Sears, Frye, et al., 1989; Westre and Kelly, 1989; Miller, Burton, et al., 1989; Fawzy, Sears, et al., 1990; Rudolph, Hall, et al., 1996

Notes

References

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

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

Chase, 1998
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Fisher, Sunderlin, et al., 1989
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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]

Hudgens, DiGiuseppe, et al., 1983
Hudgens, J.W.; DiGiuseppe, T.G.; Lin, M.C., Two photon resonance enhanced multiphoton ionization spectroscopy and state assignments of the methyl radical, J. Chem. Phys., 1983, 79, 2, 571, https://doi.org/10.1063/1.445857 . [all data]

Black and Powis, 1988
Black, J.F.; Powis, I., Rotational structure and predissociation dynamics of the methyl 4pz(v=0) Rydberg state investigated by resonance enhanced multiphoton ionization spectroscopy, J. Chem. Phys., 1988, 89, 7, 3986, https://doi.org/10.1063/1.454832 . [all data]

Herzberg, 1961
Herzberg, G., The Bakerian Lecture. The Spectra and Structures of Free Methyl and Free Methylene, Proc. Roy. Soc. (London) A262, 1961, 262, 1310, 291, https://doi.org/10.1098/rspa.1961.0120 . [all data]

Milligan and Jacox, 1967
Milligan, D.E.; Jacox, M.E., Infrared and Ultraviolet Spectroscopic Study of the Products of the Vacuum-Ultraviolet Photolysis of Methane in Ar and N2 Matrices. The Infrared Spectrum of the Free Radical CH3, J. Chem. Phys., 1967, 47, 12, 5146, https://doi.org/10.1063/1.1701772 . [all data]

DiGiuseppe, Hudgens, et al., 1982
DiGiuseppe, T.G.; Hudgens, J.W.; Lin, M.C., Multiphoton ionization of methyl radicals in the gas phase, J. Phys. Chem., 1982, 86, 1, 36, https://doi.org/10.1021/j100390a008 . [all data]

Heinze, Heberle, et al., 1994
Heinze, J.; Heberle, N.; Kohse-Hoinghaus, K., The CH3 3pz2A2´´ ← X 2A2´´ 000 band at temperatures up to 1700 K investigated by REMPI spectroscopy, Chem. Phys. Lett., 1994, 223, 4, 305, https://doi.org/10.1016/0009-2614(94)00469-2 . [all data]

Zhang, Zhang, et al., 2005
Zhang, B.; Zhang, J.; Liu, K., Imaging the "missing" bands in the resonance-enhanced multiphoton ionization detection of methyl radical, J. Chem. Phys., 2005, 122, 10, 104310, https://doi.org/10.1063/1.1859277 . [all data]

Fu, Hu, et al., 2005
Fu, H.B.; Hu, Y.J.; Bernstein, E.R., IR/UV double resonant spectroscopy of the methyl radical: Determination of ν[sub 3] in the 3p[sub z] Rydberg state, J. Chem. Phys., 2005, 123, 23, 234307, https://doi.org/10.1063/1.2135772 . [all data]

Callear and Metcalfe, 1976
Callear, A.B.; Metcalfe, M.P., Oscillator strengths of the bands of the B2 A´1---X2 A´´2 system of CD3 and a spectroscopic measurement of the recombination rate comparison with CH3, Chem. Phys., 1976, 14, 2, 275, https://doi.org/10.1016/0301-0104(76)80045-6 . [all data]

Westre, Gansberg, et al., 1992
Westre, S.G.; Gansberg, T.E.; Kelly, P.B.; Ziegler, L.D., Structure and dynamics of higher vibronic levels in the methyl radical Rydberg 3s state, J. Phys. Chem., 1992, 96, 9, 3610, https://doi.org/10.1021/j100188a012 . [all data]

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Settersten, T.B.; Farrow, R.L.; Gray, J.A., Coherent infrared--ultraviolet double-resonance spectroscopy of CH3, Chem. Phys. Lett., 2003, 370, 1-2, 204, https://doi.org/10.1016/S0009-2614(03)00062-9 . [all data]

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Holt, P.L.; McCurdy, K.E.; Weisman, R.B.; Adams, J.S.; Engel, P.S., Transient CARS spectroscopy of the ν1 band of methyl radical, J. Chem. Phys., 1984, 81, 7, 3349, https://doi.org/10.1063/1.448000 . [all data]

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Kelly, P.B.; Westre, S.G., Resonance Raman spectroscopy of the methyl radical, Chem. Phys. Lett., 1988, 151, 3, 253, https://doi.org/10.1016/0009-2614(88)85284-9 . [all data]

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Tan, L.Y.; Winer, A.M.; Pimentel, G.C., Infrared Spectrum of Gaseous Methyl Radical by Rapid Scan Spectroscopy, J. Chem. Phys., 1972, 57, 9, 4028, https://doi.org/10.1063/1.1678876 . [all data]

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Jacox, 1998
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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]

Frye, Sears, et al., 1988
Frye, J.M.; Sears, T.J.; Leitner, D., Diode laser spectroscopy of the ν2 band of CD3, J. Chem. Phys., 1988, 88, 9, 5300, https://doi.org/10.1063/1.454588 . [all data]

Parker, Wang, et al., 1989
Parker, D.H.; Wang, Z.W.; Janssen, M.H.M.; Chandler, D.W., Laser ionization spectroscopy of CD3 via the 3pz 2A'2 Rydberg state, J. Chem. Phys., 1989, 90, 1, 60, https://doi.org/10.1063/1.456466 . [all data]

Sears, Frye, et al., 1989
Sears, T.J.; Frye, J.M.; Spirko, V.; Kraemer, W.P., Extended measurements of the ν2 band of CD3 and the determination of the vibrational potential function for methyl, J. Chem. Phys., 1989, 90, 4, 2125, https://doi.org/10.1063/1.456006 . [all data]

Westre and Kelly, 1989
Westre, S.G.; Kelly, P.B., Examination of CD3 vibrational structure by resonance Raman spectroscopy, J. Chem. Phys., 1989, 90, 12, 6977, https://doi.org/10.1063/1.456273 . [all data]

Miller, Burton, et al., 1989
Miller, J.T.; Burton, K.A.; Weisman, R.B.; Wu, W.-X.; Engel, P.S., Cars spectroscopy of gas phase CD3, Chem. Phys. Lett., 1989, 158, 3-4, 179, https://doi.org/10.1016/0009-2614(89)87317-8 . [all data]

Fawzy, Sears, et al., 1990
Fawzy, W.M.; Sears, T.J.; Davies, P.B., Infrared diode laser spectroscopy of the ν3 fundamental of the CD3 radical, J. Chem. Phys., 1990, 92, 12, 7021, https://doi.org/10.1063/1.458242 . [all data]

Rudolph, Hall, et al., 1996
Rudolph, R.N.; Hall, G.E.; Sears, T.J., Measurement of the ν3 fundamental transition moment and vibrational relaxation rates of the CD3 radical, J. Chem. Phys., 1996, 105, 18, 7889, https://doi.org/10.1063/1.472704 . [all data]

Notes

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, References

• Symbols used in this document:
  

  AE	Appearance energy
  EA	Electron affinity
  IE (evaluated)	Recommended ionization energy
  S°gas,1 bar	Entropy of gas at standard conditions (1 bar)
  ΔfH(+) ion,0K	Enthalpy of formation of positive ion at 0K
  ΔfH°gas	Enthalpy of formation of gas at standard conditions
  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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