Home Symbol which looks like a small house Up Solid circle with an upward pointer in it

Ethoxy radical


Reaction thermochemistry data

Go To: Top, Gas phase ion energetics data, Vibrational and/or electronic energy levels, NIST Free Links, 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

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

Ethyl-nitrite- = Nitric oxide + Ethoxy radical

By formula: C2H5NO2 = NO + C2H5O

Quantity Value Units Method Reference Comment
Deltar37.7kcal/molKinRebbert and Laidler, 1952gas phase

Gas phase ion energetics data

Go To: Top, Reaction thermochemistry data, Vibrational and/or electronic energy levels, NIST Free Links, 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 ± 0.05EIWilliams and Hamill, 1968RDSH

Anion protonation reactions

C2H5O- + Hydrogen cation = Ethanol

By formula: C2H5O- + H+ = C2H6O

Quantity Value Units Method Reference Comment
Deltar379.2 ± 1.0kcal/molD-EARamond, Davico, et al., 2000gas phase; B
Deltar378.0 ± 2.0kcal/molCIDCHaas and Harrison, 1993gas phase; Both metastable and 50 eV collision energy.; B
Deltar377.4 ± 2.1kcal/molG+TSBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
Deltar379.10 ± 0.10kcal/molCIDTDeTuri and Ervin, 1999gas phase; B
Quantity Value Units Method Reference Comment
Deltar372.6 ± 1.1kcal/molH-TSRamond, Davico, et al., 2000gas phase; B
Deltar371.4 ± 2.1kcal/molH-TSHaas and Harrison, 1993gas phase; Both metastable and 50 eV collision energy.; B
Deltar370.8 ± 2.0kcal/molIMREBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B

Vibrational and/or electronic energy levels

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, NIST Free Links, 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   «lambda»min 
 (nm) 
 «lambda»max 
 (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   «lambda»min 
 (nm) 
 «lambda»max 
 (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

TTentative assignment or approximate value
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, Notes

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

Rebbert and Laidler, 1952
Rebbert, R.E.; Laidler, K.J., Kinetics of the decomposition of diethyl peroxide, J. Chem. Phys., 1952, 20, 574-577. [all data]

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, Reaction thermochemistry data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, NIST Free Links, References