Hydroxymethyl radical


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:
HL - Edward P. Hunter and 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
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 CH3O+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
Proton affinity (review)166.kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity158.3kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Δf(+) ion171.6 ± 0.4kcal/molN/AN/A 

Ionization energy determinations

IE (eV) Method Reference Comment
7.562 ± 0.004EVALJohnson and Hudgens, 1996LL
7.553 ± 0.006PIBerkowitz, Ellison, et al., 1994Unpublished results of B. Ruscic and J. Berkowitz; LL
7.56 ± 0.02PITao, Klemm, et al., 1992LL
7.56 ± 0.01PEDyke, Ellis, et al., 1984LBLHLM
7.6DERGriller and Lossing, 1981LLK
8.14 ± 0.15EIFisher and Henderson, 1967RDSH
8.14 ± 0.01PEDyke, Ellis, et al., 1984Vertical value; LBLHLM

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CHO+8.61H2PITao, Klemm, et al., 1992LL

Vibrational and/or electronic energy levels

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: Marilyn E. Jacox

State:   3pz


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

To = 41062 ± 3 gas 3pz-X 217 244 Dulcey and Hudgens, 1986
Bomse, Dougal, et al., 1986
Pagsberg, Munk, et al., 1988
Johnson and Hudgens, 1996
Aristov, Conroy, et al., 2000


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

a' 4 CO stretch 1621 ± 7 gas MPI Dulcey and Hudgens, 1986
Bomse, Dougal, et al., 1986
Johnson and Hudgens, 1996
5 CH2 scissors 1465 ± 7 gas MPI Dulcey and Hudgens, 1986
Johnson and Hudgens, 1996
6 HCOH deform. 1357 ± 7 gas MPI Dulcey and Hudgens, 1986
Johnson and Hudgens, 1996
7 HCOH deform. 1107 ± 7 gas MPI Dulcey and Hudgens, 1986
Johnson and Hudgens, 1996
a 9 Torsion 993 ± 8 gas MPI Johnson and Hudgens, 1996

State:   ?


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

Td = 35700 T gas Jacox and Milligan, 1973
Jacox, 1981

State:   3px


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

To = 35050 gas 3px-X 243 285 Pagsberg, Munk, et al., 1988
Feng, Huang, et al., 2002

State:   3s


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

To = 25980 ± 80 gas Feng, Huang, et al., 2002

State:   X


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

a' 1 OH stretch 3674.9 gas MPI Feng, Wei, et al., 2004
1 OH stretch 3650 m Ar IR Jacox and Milligan, 1973
Jacox, 1981
1 OH stretch 3637 m N2 IR Jacox and Milligan, 1973
2 CH2 a-stretch 3161.5 gas MPI Feng, Wei, et al., 2004
3 CH2 s-stretch 3043.4 gas MPI Feng, Wei, et al., 2004
4 CH2 scissors 1459 w Ar IR Jacox, 1981
5 OH deform. 1334 m Ar IR Jacox and Milligan, 1973
Jacox, 1981
6 CO stretch 1176 ± 7 gas MPI Johnson and Hudgens, 1996
6 CO stretch 1183 vs Ar IR Jacox and Milligan, 1973
Jacox, 1981
6 CO stretch 1183 s N2 IR Jacox and Milligan, 1973
7 HCOH deform. 1048 s Ar IR Jacox and Milligan, 1973
Jacox, 1981
7 HCOH deform. 1056 m N2 IR Jacox and Milligan, 1973
a 8 Torsion 420 m Ar IR Jacox and Milligan, 1973
Jacox, 1981
8 Torsion 482 m N2 IR Jacox and Milligan, 1973
9 H2CO OPLA 234 ± 5 gas MPI Johnson and Hudgens, 1996

Additional references: Jacox, 1994, page 237; Jacox, 1998, page 272; Jacox, 2003, page 258; Pagsberg, Munk, et al., 1989

Notes

wWeak
mMedium
sStrong
vsVery strong
TTentative assignment or approximate value
oEnergy separation between the v = 0 levels of the excited and electronic ground states.
dPhotodissociation threshold

References

Go To: Top, 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.

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]

Johnson and Hudgens, 1996
Johnson, R.D., III; Hudgens, J.W., Structural and thermochemical properties of hydroxymethyl (CH2OH) radicals and cations derived from observations of B 2A'(3p)←X 2A" electronic spectra and from ab initio calculations, J. Phys. Chem., 1996, 100, 19874. [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]

Tao, Klemm, et al., 1992
Tao, W.; Klemm, R.B.; Nesbitt, F.L.; Stief, J.L., A discharge flow-photoionization mass spectrometric study of hydroxymethyl radicals (H2COH and H2COD): Photoionization spectrum and ionization energy, J. Phys. Chem., 1992, 96, 104. [all data]

Dyke, Ellis, et al., 1984
Dyke, J.M.; Ellis, A.R.; Jonathan, N.; Keddar, N.; Morris, A., Observation of the CH2OH radical in the gas Ppase by vacuum ultraviolet photoelectron spectroscopy, Chem. Phys. Lett., 1984, 111, 207. [all data]

Griller and Lossing, 1981
Griller, D.; Lossing, F.P., On the thermochemistry of α-aminoalkyl radicals, J. Am. Chem. Soc., 1981, 103, 1586. [all data]

Fisher and Henderson, 1967
Fisher, I.P.; Henderson, E., Mass spectrometry of free radicals, J. Chem. Soc. Faraday Trans., 1967, 63, 1342. [all data]

Dulcey and Hudgens, 1986
Dulcey, C.S.; Hudgens, J.W., Multiphoton ionization spectroscopy and vibrational analysis of a 3p Rydberg state of the hydroxymethyl radical, J. Chem. Phys., 1986, 84, 10, 5262, https://doi.org/10.1063/1.449935 . [all data]

Bomse, Dougal, et al., 1986
Bomse, D.S.; Dougal, S.; Woodin, R.L., Multiphoton ionization studies of IR multiphoton dissociation: direct carbon-hydrogen bond cleavage in methanol, J. Phys. Chem., 1986, 90, 12, 2640, https://doi.org/10.1021/j100403a016 . [all data]

Pagsberg, Munk, et al., 1988
Pagsberg, P.; Munk, J.; Sillesen, A.; Anastasi, C., UV spectrum and kinetics of hydroxymethyl radicals, Chem. Phys. Lett., 1988, 146, 5, 375, https://doi.org/10.1016/0009-2614(88)87462-1 . [all data]

Aristov, Conroy, et al., 2000
Aristov, V.; Conroy, D.; Reisler, H., Symmetry and lifetime of the hydroxymethyl radical in the 3p Rydberg state, Chem. Phys. Lett., 2000, 318, 4-5, 393, https://doi.org/10.1016/S0009-2614(00)00042-7 . [all data]

Jacox and Milligan, 1973
Jacox, M.E.; Milligan, D.E., Matrix isolation study of the vacuum-ultraviolet photolysis of methanol, J. Mol. Spectrosc., 1973, 47, 1, 148, https://doi.org/10.1016/0022-2852(73)90084-2 . [all data]

Jacox, 1981
Jacox, M.E., The reaction of excited argon atoms and of F atoms with Methanol. Vibrational spectrum of CH2OH isolated in solid argon, Chem. Phys., 1981, 59, 1-2, 213, https://doi.org/10.1016/0301-0104(81)80101-2 . [all data]

Feng, Huang, et al., 2002
Feng, L.; Huang, X.; Reisler, H., Photodissociative spectroscopy of the hydroxymethyl radical (CH[sub 2]OH) in the 3s and 3p[sub x] states, J. Chem. Phys., 2002, 117, 10, 4820, https://doi.org/10.1063/1.1498469 . [all data]

Feng, Wei, et al., 2004
Feng, L.; Wei, J.; Reisler, H., Rotationally Resolved Infrared Spectroscopy of the Hydroxymethyl Radical (CH, J. Phys. Chem. A, 2004, 108, 39, 7903, https://doi.org/10.1021/jp040101+ . [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, 1998
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules: supplement A, J. Phys. Chem. Ref. Data, 1998, 27, 2, 115-393, https://doi.org/10.1063/1.556017 . [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]

Pagsberg, Munk, et al., 1989
Pagsberg, P.; Munk, J.; Anastasi, C.; Simpson, V., UV spectrum of CD2OD and its reactions with O2, NO and NO2, Chem. Phys. Lett., 1989, 157, 3, 271, https://doi.org/10.1016/0009-2614(89)87246-X . [all data]


Notes

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