tBuCðC anion


Reaction thermochemistry 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 by: John E. Bartmess

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Individual Reactions

C6H9- + Methyl Alcohol = C7H13O-

By formula: C6H9- + CH4O = C7H13O-

Quantity Value Units Method Reference Comment
Δr20.8 ± 2.0kcal/molIMREChabinyc and Brauman, 1999gas phase; Anchored to MeOH ΔGacid=375.2
Quantity Value Units Method Reference Comment
Δr11.50kcal/molIMREMustanir, Matsuoka, et al., 2006gas phase
Δr10.7 ± 2.0kcal/molIMREChabinyc and Brauman, 1999gas phase; Anchored to MeOH ΔGacid=375.2

C6H9- + Hydrogen cation = 1-Butyne, 3,3-dimethyl-

By formula: C6H9- + H+ = C6H10

Quantity Value Units Method Reference Comment
Δr378.0 ± 2.2kcal/molG+TSBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale
Quantity Value Units Method Reference Comment
Δr370.2 ± 2.0kcal/molIMREBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale

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 compiled by: John E. Bartmess

Electron affinity of neutral species

EAneutral (eV) Method Reference Comment
2.98 ± 0.24D-EABartmess, Scott, et al., 1979value altered from reference due to change in acidity scale

Protonation reactions

C6H9- + Hydrogen cation = 1-Butyne, 3,3-dimethyl-

By formula: C6H9- + H+ = C6H10

Quantity Value Units Method Reference Comment
Δr378.0 ± 2.2kcal/molG+TSBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale
Quantity Value Units Method Reference Comment
Δr370.2 ± 2.0kcal/molIMREBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale

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.

Chabinyc and Brauman, 1999
Chabinyc, M.L.; Brauman, J.I., Hydrogen bond strength and acidity. Structural and energetic correlations for acetylides and alcohols, J. Phys. Chem. A, 1999, 103, 46, 9163-9166, https://doi.org/10.1021/jp992852v . [all data]

Mustanir, Matsuoka, et al., 2006
Mustanir; Matsuoka, M.; Mishima, M.; Koch, H., Stability of complexes of phenylacetylides and benzyl alkoxides with methanol in the gas phase. Acid-base correlation in the ionic hydrogen-bond strength, Bull. Chem. Soc. Japan, 2006, 79, 7, 1118-1125, https://doi.org/10.1246/bcsj.79.1118 . [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]


Notes

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