Hydroxymethyl radical
- Formula: CH3O
- Molecular weight: 31.0339
- IUPAC Standard InChIKey: CBOIHMRHGLHBPB-UHFFFAOYSA-N
- CAS Registry Number: 2597-43-5
- Chemical structure:
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Gas phase thermochemistry data
Go To: Top, Gas phase ion energetics data, Vibrational and/or electronic energy levels, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -2. ± 1. | kcal/mol | N/A | Tsang, 1996 |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Vibrational and/or electronic energy levels, 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
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/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 158.3 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
ΔfH°(+) ion | 171.6 ± 0.4 | kcal/mol | N/A | N/A |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
7.562 ± 0.004 | EVAL | Johnson and Hudgens, 1996 | LL |
7.553 ± 0.006 | PI | Berkowitz, Ellison, et al., 1994 | Unpublished results of B. Ruscic and J. Berkowitz; LL |
7.56 ± 0.02 | PI | Tao, Klemm, et al., 1992 | LL |
7.56 ± 0.01 | PE | Dyke, Ellis, et al., 1984 | LBLHLM |
7.6 | DER | Griller and Lossing, 1981 | LLK |
8.14 ± 0.15 | EI | Fisher and Henderson, 1967 | RDSH |
8.14 ± 0.01 | PE | Dyke, Ellis, et al., 1984 | Vertical value; LBLHLM |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
CHO+ | 8.61 | H2 | PI | Tao, Klemm, et al., 1992 | LL |
Vibrational and/or electronic energy levels
Go To: Top, Gas phase 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: 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
w | Weak |
m | Medium |
s | Strong |
vs | Very strong |
T | Tentative assignment or approximate value |
o | Energy separation between the v = 0 levels of the excited and electronic ground states. |
d | Photodissociation threshold |
References
Go To: Top, Gas phase 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.
Tsang, 1996
Tsang, W.,
Heats of Formation of Organic Free Radicals by Kinetic Methods
in Energetics of Organic Free Radicals, Martinho Simoes, J.A.; Greenberg, A.; Liebman, J.F., eds., Blackie Academic and Professional, London, 1996, 22-58. [all data]
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 thermochemistry data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, References
- Symbols used in this document:
AE Appearance energy ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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