Ethoxy radical
- Formula: C2H5O
- Molecular weight: 45.0605
- IUPAC Standard InChIKey: VOLGAXAGEUPBDM-UHFFFAOYSA-N
- CAS Registry Number: 2154-50-9
- Chemical structure:
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Gas phase ion energetics data
Go To: Top, 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 compiled as indicated in comments:
B - John E. Bartmess
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
View reactions leading to C2H5O+ (ion structure unspecified)
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
9.11 ± 0.05 | EI | Williams and Hamill, 1968 | RDSH |
Anion protonation reactions
C2H5O- + =
By formula: C2H5O- + H+ = C2H6O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1587. ± 4.2 | kJ/mol | D-EA | Ramond, Davico, et al., 2000 | gas phase; B |
ΔrH° | 1582. ± 8.4 | kJ/mol | CIDC | Haas and Harrison, 1993 | gas phase; Both metastable and 50 eV collision energy.; B |
ΔrH° | 1579. ± 8.8 | kJ/mol | G+TS | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale; B |
ΔrH° | 1586.2 ± 0.42 | kJ/mol | CIDT | DeTuri and Ervin, 1999 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1559. ± 4.6 | kJ/mol | H-TS | Ramond, Davico, et al., 2000 | gas phase; B |
ΔrG° | 1554. ± 8.8 | kJ/mol | H-TS | Haas and Harrison, 1993 | gas phase; Both metastable and 50 eV collision energy.; B |
ΔrG° | 1551. ± 8.4 | kJ/mol | IMRE | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale; B |
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: B
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
To = 29210.207 ± 0.006 | gas | B-X | 310 | 500 | Style and Ward, 1953 | ||
Ohbayashi, Akimoto, et al., 1977 | |||||||
Inoue, Okuda, et al., 1981 | |||||||
Ebata, Yanagishita, et al., 1982 | |||||||
Foster, Hsu, et al., 1986 | |||||||
Tan, Williamson, et al., 1993 | |||||||
Gopalakrishnan, Zu, et al., 2003 | |||||||
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
a' | CO stretch | 603 | gas | LF | Foster, Hsu, et al., 1986 Tan, Williamson, et al., 1993 Gopalakrishnan, Zu, et al., 2003 | ||
State: A
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
To = 355 ± 10 | gas | Ramond, Davico, et al., 2000, 2 | |||||
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
a' | 685 | T | gas | PE | Ramond, Davico, et al., 2000, 2 | ||
State: X
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
a' | CH2 wag | 1370 | gas | LF | Inoue, Okuda, et al., 1981 | ||
CH2 scissors | 1295 ± 10 | gas | PE | Ramond, Davico, et al., 2000, 2 | |||
C-O stretch | 1067 | gas | LF EM | Inoue, Okuda, et al., 1981 Ebata, Yanagishita, et al., 1982 Foster, Hsu, et al., 1986 | |||
C-C stretch | 875 | T | gas | LF | Inoue, Okuda, et al., 1981 | ||
CCO bend | 442 | gas | LF | Inoue, Okuda, et al., 1981 | |||
Additional references: Jacox, 1994, page 376; Jacox, 1998, page 337; Jacox, 2003, page 353
Notes
T | Tentative assignment or approximate value |
o | Energy separation between the v = 0 levels of the excited and electronic ground states. |
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.
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]
Ramond, Davico, et al., 2000
Ramond, T.M.; Davico, G.E.; Schwartz, R.L.; Lineberger, W.C.,
Vibronic structure of alkoxy radicals via photoelectron spectroscopy,
J. Chem. Phys., 2000, 112, 3, 1158-1169, https://doi.org/10.1063/1.480767
. [all data]
Haas and Harrison, 1993
Haas, M.J.; Harrison, A.G.,
The Fragmentation of Proton-Bound Cluster Ions and the Gas-Phase Acidities of Alcohols,
Int. J. Mass Spectrom. Ion Proc., 1993, 124, 2, 115, https://doi.org/10.1016/0168-1176(93)80003-W
. [all data]
Bartmess, Scott, et al., 1979
Bartmess, J.E.; Scott, J.A.; McIver, R.T., Jr.,
The gas phase acidity scale from methanol to phenol,
J. Am. Chem. Soc., 1979, 101, 6047. [all data]
DeTuri and Ervin, 1999
DeTuri, V.F.; Ervin, K.M.,
Competitive threshold collision-induced dissociation: Gas-phase acidities and bond dissociation energies for a series of alcohols,
J. Phys. Chem. A, 1999, 103, 35, 6911-6920, https://doi.org/10.1021/jp991459m
. [all data]
Style and Ward, 1953
Style, D.W.G.; Ward, J.C.,
Fluorescent spectra from ethyl nitrate. Part 1.?Supposed emissions from alkoxy radicals and NO2,
Trans. Faraday Soc., 1953, 49, 999, https://doi.org/10.1039/tf9534900999
. [all data]
Ohbayashi, Akimoto, et al., 1977
Ohbayashi, K.; Akimoto, H.; Tanaka, I.,
Emission spectra of methoxyl, ethoxyl, and isopropoxyl radicals,
J. Phys. Chem., 1977, 81, 8, 798, https://doi.org/10.1021/j100523a023
. [all data]
Inoue, Okuda, et al., 1981
Inoue, G.; Okuda, M.; Akimoto, H.,
Laser-induced fluorescence of the C2H5O radical,
J. Chem. Phys., 1981, 75, 5, 2060, https://doi.org/10.1063/1.442325
. [all data]
Ebata, Yanagishita, et al., 1982
Ebata, T.; Yanagishita, H.; Obi, K.; Tanaka, I.,
Ã→X fluorescence spectra of CH3O and C2H5O generated by the Arf laser photolysis of alkyl nitrites,
Chem. Phys., 1982, 69, 1-2, 27, https://doi.org/10.1016/0301-0104(82)88129-9
. [all data]
Foster, Hsu, et al., 1986
Foster, S.C.; Hsu, Y.-C.; Damo, C.P.; Liu, X.; Kung, C.-Y.; Miller, T.A.,
Implications of the rotationally resolved spectra of the alkoxy radicals for their electronic structure,
J. Phys. Chem., 1986, 90, 26, 6766, https://doi.org/10.1021/j100284a011
. [all data]
Tan, Williamson, et al., 1993
Tan, X.Q.; Williamson, J.M.; Foster, S.C.; Miller, T.A.,
Rotationally resolved electronic excitation spectra of the ethoxy ~B .rarw. ~X transition,
J. Phys. Chem., 1993, 97, 37, 9311, https://doi.org/10.1021/j100139a010
. [all data]
Gopalakrishnan, Zu, et al., 2003
Gopalakrishnan, S.; Zu, L.; Miller, T.A.,
Radiative and non-radiative decay of selected vibronic levels of the state of alkoxy radicals,
Chem. Phys. Lett., 2003, 380, 5-6, 749, https://doi.org/10.1016/j.cplett.2003.08.124
. [all data]
Ramond, Davico, et al., 2000, 2
Ramond, T.M.; Davico, G.E.; Schwartz, R.L.; Lineberger, W.C.,
Vibronic structure of alkoxy radicals via photoelectron spectroscopy,
J. Chem. Phys., 2000, 112, 3, 1158, https://doi.org/10.1063/1.480767
. [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]
Notes
Go To: Top, Gas phase ion energetics data, Vibrational and/or electronic energy levels, References
- Symbols used in this document:
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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