pMe-C6H4CðC 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

C9H7- + Hydrogen cation = Benzene, 1-ethynyl-4-methyl-

By formula: C9H7- + H+ = C9H8

Quantity Value Units Method Reference Comment
Δr1555. ± 9.6kJ/molG+TSChabinyc and Brauman, 1999gas phase; reported as 365.2/372.8, relative to MeOH at 375.2; value altered from reference due to change in acidity scale
Quantity Value Units Method Reference Comment
Δr1523. ± 8.4kJ/molIMREChabinyc and Brauman, 1999gas phase; reported as 365.2/372.8, relative to MeOH at 375.2; value altered from reference due to change in acidity scale

C9H7- + Methyl Alcohol = C10H11O-

By formula: C9H7- + CH4O = C10H11O-

Quantity Value Units Method Reference Comment
Δr90.4 ± 8.4kJ/molIMREChabinyc and Brauman, 1999gas phase; Anchored to MeOH ΔGacid=375.2
Quantity Value Units Method Reference Comment
Δr42.68kJ/molIMREMustanir, Matsuoka, et al., 2006gas phase
Δr46.4 ± 8.4kJ/molIMREChabinyc and Brauman, 1999gas phase; Anchored to MeOH ΔGacid=375.2

C9H7- + Fluoroform = C10H8F3-

By formula: C9H7- + CHF3 = C10H8F3-

Quantity Value Units Method Reference Comment
Δr78.7 ± 4.2kJ/molIMREChabinyc and Brauman, 2000gas phase; Original dG=8.3 at 350K; dS based on symmetry alone
Quantity Value Units Method Reference Comment
Δr41. ± 4.2kJ/molIMREChabinyc and Brauman, 2000gas phase; Original dG=8.3 at 350K; dS based on symmetry alone

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

Protonation reactions

C9H7- + Hydrogen cation = Benzene, 1-ethynyl-4-methyl-

By formula: C9H7- + H+ = C9H8

Quantity Value Units Method Reference Comment
Δr1555. ± 9.6kJ/molG+TSChabinyc and Brauman, 1999gas phase; reported as 365.2/372.8, relative to MeOH at 375.2; value altered from reference due to change in acidity scale
Quantity Value Units Method Reference Comment
Δr1523. ± 8.4kJ/molIMREChabinyc and Brauman, 1999gas phase; reported as 365.2/372.8, relative to MeOH at 375.2; 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]

Chabinyc and Brauman, 2000
Chabinyc, M.L.; Brauman, J.I., Unusual ionic hydrogen bonds: Complexes of acetylides and fluoroform, J. Am. Chem. Soc., 2000, 122, 36, 8739-8745, https://doi.org/10.1021/ja000806z . [all data]


Notes

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