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

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

C6H9- + Methyl Alcohol = C7H13O-

By formula: C6H9- + CH4O = C7H13O-

Quantity Value Units Method Reference Comment
Δr87.0 ± 8.4kJ/molIMREChabinyc and Brauman, 1999gas phase; Anchored to MeOH ΔGacid=375.2
Quantity Value Units Method Reference Comment
Δr48.12kJ/molIMREMustanir, Matsuoka, et al., 2006gas phase
Δr44.8 ± 8.4kJ/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
Δr1582. ± 9.2kJ/molG+TSBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale
Quantity Value Units Method Reference Comment
Δr1549. ± 8.4kJ/molIMREBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale

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 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
Δr1582. ± 9.2kJ/molG+TSBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale
Quantity Value Units Method Reference Comment
Δr1549. ± 8.4kJ/molIMREBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale

Ion clustering 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

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

C6H9- + Methyl Alcohol = C7H13O-

By formula: C6H9- + CH4O = C7H13O-

Quantity Value Units Method Reference Comment
Δr87.0 ± 8.4kJ/molIMREChabinyc and Brauman, 1999gas phase; Anchored to MeOH ΔGacid=375.2
Quantity Value Units Method Reference Comment
Δr48.12kJ/molIMREMustanir, Matsuoka, et al., 2006gas phase
Δr44.8 ± 8.4kJ/molIMREChabinyc and Brauman, 1999gas phase; Anchored to MeOH ΔGacid=375.2

References

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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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