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Ethynyloxy 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 compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
B - John E. Bartmess

View reactions leading to C2HO+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
Deltaf(+) ion268.kcal/molN/AN/A 

Electron affinity determinations

EA (eV) Method Reference Comment
2.3380 ± 0.0080LPESSchafer-Bung, Engels, et al., 2001B
2.350 ± 0.022LPESOakes, Jones, et al., 1983value altered from reference due to change in acidity scale; B

Ionization energy determinations

IE (eV) Method Reference Comment
9.5DERLias, Bartmess, et al., 1988LL

Vibrational and/or electronic energy levels

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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: Marilyn E. Jacox

State:   B


 Energy 
 (cm-1
 Med.   Transition   «lambda»min 
 (nm) 
 «lambda»max 
 (nm) 
 References

To = 33464.75 ± 0.05 gas B-X 263 300 Mordaunt, Osborn, et al., 1996
Osborn, Mordaunt, et al., 1997
Brock, Mischler, et al., 1997
Brock, Mischler, et al., 1999


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

Sigma+ 3 CCO s-stretch 1037 gas PF LF Osborn, Mordaunt, et al., 1997
Brock, Mischler, et al., 1997
Brock, Mischler, et al., 1999
Pi 4 HCC deform.(2S) 750.7 gas LF Brock, Mischler, et al., 1999
4 HCC deform.(2S) 564.3 gas LF Brock, Mischler, et al., 1999
5 CCO deform.(2S) 382.0 gas LF Brock, Mischler, et al., 1999
5 CCO deform.(2S) 346.6 gas LF Brock, Mischler, et al., 1999

State:   X


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

a' 1 CH stretch 3232 T gas EM Wilhelm, McNavage, et al., 2008
2 CCO a-stretch 2022.64 gas DL Unfried and Curl, 1991
2 CCO a-stretch 2023.7 Ne IR Forney, Jacox, et al., 1995
2 CCO a-stretch 2019.5 Ar IR Jacox and Olson, 1987
a 6 CCH bend 494 gas LF Brock, Mischler, et al., 1997

Additional references: Jacox, 1994, page 156; Jacox, 1998, page 234; Jacox, 2003, page 188; Endo and Hirota, 1987; Ohshima and Endo, 1993; Schafer-Bung, Engels, et al., 2001, 2

Notes

TTentative assignment or approximate value
oEnergy 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.

Schafer-Bung, Engels, et al., 2001
Schafer-Bung, B.; Engels, B.; Taylor, T.R.; Neumark, D.M.; Botschwina, P.; Peric, M., Measurement and theoretical simulation of the HCCO- anion photoelectron spectrum, J. Chem. Phys., 2001, 115, 4, 1777-1788, https://doi.org/10.1063/1.1378041 . [all data]

Oakes, Jones, et al., 1983
Oakes, J.M.; Jones, M.E.; Bierbaum, V.M.; Ellison, G.B., Photoelectron spectroscopy of CCO- and HCCO-, J. Phys. Chem., 1983, 87, 4810. [all data]

Lias, Bartmess, et al., 1988
Lias, S.G.; Bartmess, J.E.; Liebman, J.F.; Holmes, J.L.; Levin, R.D.; Mallard, W.G., Gas-phase ion and neutral thermochemistry, J. Phys. Chem. Ref. Data, Suppl. 1, 1988, 17, 1-861. [all data]

Mordaunt, Osborn, et al., 1996
Mordaunt, D.H.; Osborn, D.L.; Choi, H.; Bise, R.T.; Neumark, D.M., Ultraviolet photodissociation of the HCCO radical studied by fast radical beam photofragment translational spectroscopy, J. Chem. Phys., 1996, 105, 14, 6078, https://doi.org/10.1063/1.472446 . [all data]

Osborn, Mordaunt, et al., 1997
Osborn, D.L.; Mordaunt, D.H.; Choi, H.; Bise, R.T.; Neumark, D.M.; Rohlfing, C.M., Photodissociation spectroscopy and dynamics of the HCCO free radical, J. Chem. Phys., 1997, 106, 24, 10087, https://doi.org/10.1063/1.474064 . [all data]

Brock, Mischler, et al., 1997
Brock, L.R.; Mischler, B.; Rohlfing, E.A.; Bise, R.T.; Neumark, D.M., Laser-induced fluorescence spectroscopy of the ketenyl radical, J. Chem. Phys., 1997, 107, 2, 665, https://doi.org/10.1063/1.474427 . [all data]

Brock, Mischler, et al., 1999
Brock, L.R.; Mischler, B.; Rohlfing, E.A., Laser-induced fluorescence spectroscopy of the B [sup 2]«PI»--X [sup 2]A[sup ´´] band system of HCCO and DCCO, J. Chem. Phys., 1999, 110, 14, 6773, https://doi.org/10.1063/1.478581 . [all data]

Wilhelm, McNavage, et al., 2008
Wilhelm, M.J.; McNavage, W.; Groller, R.; Dai, H.-L., The «nu»[sub 1] CH stretching mode of the ketenyl (HCCO) radical, J. Chem. Phys., 2008, 128, 6, 064313, https://doi.org/10.1063/1.2829400 . [all data]

Unfried and Curl, 1991
Unfried, K.G.; Curl, R.F., Infrared flash kinetic spectroscopy of «nu»2 of ketenyl radical, J. Mol. Spectrosc., 1991, 150, 1, 86, https://doi.org/10.1016/0022-2852(91)90195-G . [all data]

Forney, Jacox, et al., 1995
Forney, D.; Jacox, M.E.; Thompson, W.E., The Infrared and Near-Infrared Spectra of HCC and DCC Trapped in Solid Neon, J. Mol. Spectrosc., 1995, 170, 1, 178, https://doi.org/10.1006/jmsp.1995.1065 . [all data]

Jacox and Olson, 1987
Jacox, M.E.; Olson, W.B., The A 2«PI»--X 2«SIGMA»+ transition of HC2 isolated in solid argon, J. Chem. Phys., 1987, 86, 6, 3134, https://doi.org/10.1063/1.452024 . [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]

Endo and Hirota, 1987
Endo, Y.; Hirota, E., The submillimeter-wave spectrum of the HCCO radical, J. Chem. Phys., 1987, 86, 8, 4319, https://doi.org/10.1063/1.451892 . [all data]

Ohshima and Endo, 1993
Ohshima, Y.; Endo, Y., Determination of the Hyperfine Constants for HCCO by Pulsed-Discharge-Nozzle Fourier-Transform Microwave Spectroscopy, J. Mol. Spectrosc., 1993, 159, 2, 458, https://doi.org/10.1006/jmsp.1993.1142 . [all data]

Schafer-Bung, Engels, et al., 2001, 2
Schafer-Bung, B.; Engels, B.; Taylor, T.R.; Neumark, D.M.; Botschwina, P.; Peric, M., Measurement and theoretical simulation of the HCCO[sup -] anion photoelectron spectrum, J. Chem. Phys., 2001, 115, 4, 1777, https://doi.org/10.1063/1.1378041 . [all data]


Notes

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