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Ketene

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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
L - Sharon G. Lias

Data compiled as indicated in comments:
B - John E. Bartmess
MM - Michael M. Meot-Ner (Mautner)
LL - Sharon G. Lias and Joel F. Liebman
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 C2H2O+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)9.617 ± 0.003eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)197.3kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity189.7kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Deltaf(+) ion210.kcal/molN/AN/A 
Quantity Value Units Method Reference Comment
DeltafH(+) ion,0K211.kcal/molN/AN/A 

Proton affinity at 298K

Proton affinity (kcal/mol) Reference Comment
196.7 ± 0.81Bouchoux and Salpin, 1999T = 302K; Re-evaluated thermokinetic parametric fitting by the authors using reference base GBs and PAs from Hunter and Lias, 1998; MM
196.7 ± 0.81Bouchoux and Salpin, 1999T = 298K; MM

Gas basicity at 298K

Gas basicity (review) (kcal/mol) Reference Comment
188.8 ± 0.36Bouchoux and Salpin, 1999T = 302K; Re-evaluated thermokinetic parametric fitting by the authors using reference base GBs and PAs from Hunter and Lias, 1998; MM
188.8 ± 0.36Bouchoux and Salpin, 1999T = 298K; MM

Ionization energy determinations

IE (eV) Method Reference Comment
9.6191 ± 0.0004PENiu, Bai, et al., 1993LL
9.614 ± 0.008PIVogt, Williamson, et al., 1978LLK
9.61 ± 0.02PEVogt, Williamson, et al., 1978LLK
9.63 ± 0.02PEHall, Maier, et al., 1977LLK
9.64PEBaker and Turner, 1969RDSH
9.61 ± 0.02SPrice, Teegan, et al., 1951RDSH
9.64PEBock, Hirabayashi, et al., 1981Vertical value; LLK
9.60PEBock, Hirabayashi, et al., 1977Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CHO+16.1 ± 0.4CHEICollin and Locht, 1970RDSH
CH2+13.729 ± 0.008CODERMcCulloh and Dibeler, 1976T = 0K; LLK
CH2+13.712 ± 0.008COPIMcCulloh and Dibeler, 1976T = 400K; LLK
CH2+13.8 ± 0.2COEICollin and Locht, 1970RDSH
CO+13.6 ± 0.3?EICollin and Locht, 1970RDSH
C2HO+14.9 ± 0.3HEICollin and Locht, 1970RDSH

De-protonation reactions

C2HO- + Hydrogen cation = Ketene

By formula: C2HO- + H+ = C2H2O

Quantity Value Units Method Reference Comment
Deltar364.8 ± 2.1kcal/molG+TSOakes, Jones, et al., 1983gas phase; Acid: ketene; value altered from reference due to change in acidity scale; B
Quantity Value Units Method Reference Comment
Deltar357.8 ± 2.0kcal/molIMRBOakes, Jones, et al., 1983gas phase; Acid: ketene; value altered from reference due to change in acidity scale; B

References

Go To: Top, Gas phase ion energetics data, 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]

Bouchoux and Salpin, 1999
Bouchoux, J.; Salpin, J.Y., Re-evaluated gas-phase basicity and proton affinity data from the thermokinetic method, Rapid Com. Mass Spectrom., 1999, 13, 932. [all data]

Niu, Bai, et al., 1993
Niu, B.; Bai, Y.; Shirley, D.A., High resolution photoelectron spectroscopy and femtosecond intramolecular dynamics of H2CCO+ and D2CCO+, J. Chem. Phys., 1993, 99, 2520. [all data]

Vogt, Williamson, et al., 1978
Vogt, J.; Williamson, A.D.; Beauchamp, J.L., Properties and reactions of ketene in the gas phase by ion cyclotron resonance spectroscopy and photoionization mass spectrometry. Proton affinity, site specificity of protonation, and heat of formation of ketene, J. Am. Chem. Soc., 1978, 100, 3478. [all data]

Hall, Maier, et al., 1977
Hall, D.; Maier, J.P.; Rosmus, P., Electronic states of ketene radical cation, Chem. Phys., 1977, 24, 373. [all data]

Baker and Turner, 1969
Baker, C.; Turner, D.W., Photoelectron spectra of allene and keten; Jahn-Teller distortion in the ionisation of allene, Chem. Commun., 1969, 480. [all data]

Price, Teegan, et al., 1951
Price, W.C.; Teegan, J.P.; Walsh, A.D., The absorption spectrum of ketene in the far ultra-violet, J. Chem. Soc., 1951, 920. [all data]

Bock, Hirabayashi, et al., 1981
Bock, H.; Hirabayashi, T.; Mohmand, S., Thermische erzeugung von alkyl- und halogenketenen, Chem. Ber., 1981, 114, 2595. [all data]

Bock, Hirabayashi, et al., 1977
Bock, H.; Hirabayashi, T.; Mohmand, S.; Solouki, B., Instabile Zwischenprodukte in der Gasphase: Der thermische Zerfall von Carbonsaurechloriden RCOCl, Angew. Chem., 1977, 89, 106. [all data]

Collin and Locht, 1970
Collin, J.E.; Locht, R., Positive and negative ion formation in ketene by electron impact, Intern. J. Mass Spectrom. Ion Phys., 1970, 3, 465. [all data]

McCulloh and Dibeler, 1976
McCulloh, K.E.; Dibeler, V.H., Enthalpy of formation of methyl and methylene radicals of photoionization studies of methane and ketene, J. Chem. Phys., 1976, 64, 4445. [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]


Notes

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