Home Symbol which looks like a small house Up Solid circle with an upward pointer in it

tBuCðC anion


Reaction thermochemistry data

Go To: Top, Gas phase ion energetics data, Ion clustering 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

C6H9- + Methyl Alcohol = C7H13O-

By formula: C6H9- + CH4O = C7H13O-

Quantity Value Units Method Reference Comment
Deltar87.0 ± 8.4kJ/molIMREChabinyc and Brauman, 1999gas phase; Anchored to MeOH «DELTA»Gacid=375.2
Quantity Value Units Method Reference Comment
Deltar48.12kJ/molIMREMustanir, Matsuoka, et al., 2006gas phase
Deltar44.8 ± 8.4kJ/molIMREChabinyc and Brauman, 1999gas phase; Anchored to MeOH «DELTA»Gacid=375.2

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

By formula: C6H9- + H+ = C6H10

Quantity Value Units Method Reference Comment
Deltar1582. ± 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
Deltar1549. ± 8.4kJ/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, Ion clustering 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
Deltar1582. ± 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
Deltar1549. ± 8.4kJ/molIMREBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale

Ion clustering data

Go To: Top, Reaction thermochemistry data, 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. 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
Deltar87.0 ± 8.4kJ/molIMREChabinyc and Brauman, 1999gas phase; Anchored to MeOH «DELTA»Gacid=375.2
Quantity Value Units Method Reference Comment
Deltar48.12kJ/molIMREMustanir, Matsuoka, et al., 2006gas phase
Deltar44.8 ± 8.4kJ/molIMREChabinyc and Brauman, 1999gas phase; Anchored to MeOH «DELTA»Gacid=375.2

References

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

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