Thioketene


Reaction thermochemistry data

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: John E. Bartmess

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

C2HS- + Hydrogen cation = Thioketene

By formula: C2HS- + H+ = C2H2S

Quantity Value Units Method Reference Comment
Δr351.0 ± 4.0kcal/molG+TSRobinson, Davico, et al., 1994gas phase; Data listed as M.R. Krempp, personal communication, 1994
Quantity Value Units Method Reference Comment
Δr343.2 ± 4.0kcal/molIMRBRobinson, Davico, et al., 1994gas phase; Data listed as M.R. Krempp, personal communication, 1994

Gas phase ion energetics data

Go To: Top, Reaction thermochemistry data, 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:
B - John E. Bartmess
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

View reactions leading to C2H2S+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
Proton affinity (review)197.5kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity190.1kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Δf(+) ion242.kcal/molN/AN/A 
Quantity Value Units Method Reference Comment
ΔfH(+) ion,0K234.kcal/molN/AN/A 

Ionization energy determinations

IE (eV) Method Reference Comment
8.77PERosmus, Solouki, et al., 1977LLK
8.89PERosmus, Solouki, et al., 1977Vertical value; LLK
8.89PEBock, Solouki, et al., 1977Vertical value; LLK

De-protonation reactions

C2HS- + Hydrogen cation = Thioketene

By formula: C2HS- + H+ = C2H2S

Quantity Value Units Method Reference Comment
Δr351.0 ± 4.0kcal/molG+TSRobinson, Davico, et al., 1994gas phase; Data listed as M.R. Krempp, personal communication, 1994; B
Quantity Value Units Method Reference Comment
Δr343.2 ± 4.0kcal/molIMRBRobinson, Davico, et al., 1994gas phase; Data listed as M.R. Krempp, personal communication, 1994; B

References

Go To: Top, Reaction thermochemistry data, 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.

Robinson, Davico, et al., 1994
Robinson, M.S.; Davico, G.E.; Bierbaum, V.M.; Depuy, C.H., The gas phase ion/molecule chemistry of the carbon-13 labeled ketenyl and methyl ketenyl anions with CS2, COS, and CO2, Int. J. Mass Spectrom. Ion Proc., 1994, 137, 107, https://doi.org/10.1016/0168-1176(94)04030-3 . [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]

Rosmus, Solouki, et al., 1977
Rosmus, P.; Solouki, B.; Bock, H., Ground and excited states of thioketene radical cation, H2CCS+, Chem. Phys., 1977, 22, 453. [all data]

Bock, Solouki, et al., 1977
Bock, H.; Solouki, B.; Bert, G.; Rosmus, P., Unstable Intermediates.5.(1)Thioketene, J. Am. Chem. Soc., 1977, 99, 1663. [all data]


Notes

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, References