tBuCH(Et)O 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

C7H15O- + Hydrogen cation = 3-Pentanol, 2,2-dimethyl-

By formula: C7H15O- + H+ = C7H16O

Quantity Value Units Method Reference Comment
Δr369.8 ± 2.0kcal/molD-EAMihalick, Gatev, et al., 1996gas phase; Derived BDE: 104.2±2.8 kcal/mol
Δr370.0 ± 2.1kcal/molG+TSBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale
Quantity Value Units Method Reference Comment
Δr363.2 ± 2.2kcal/molH-TSMihalick, Gatev, et al., 1996gas phase; Derived BDE: 104.2±2.8 kcal/mol
Δr363.4 ± 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
2.073 ± 0.013LPDMihalick, Gatev, et al., 1996Derived BDE: 104.2±2.8 kcal/mol
2.07 ± 0.13D-EABartmess, Scott, et al., 1979value altered from reference due to change in acidity scale

Protonation reactions

C7H15O- + Hydrogen cation = 3-Pentanol, 2,2-dimethyl-

By formula: C7H15O- + H+ = C7H16O

Quantity Value Units Method Reference Comment
Δr369.8 ± 2.0kcal/molD-EAMihalick, Gatev, et al., 1996gas phase; Derived BDE: 104.2±2.8 kcal/mol
Δr370.0 ± 2.1kcal/molG+TSBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale
Quantity Value Units Method Reference Comment
Δr363.2 ± 2.2kcal/molH-TSMihalick, Gatev, et al., 1996gas phase; Derived BDE: 104.2±2.8 kcal/mol
Δr363.4 ± 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.

Mihalick, Gatev, et al., 1996
Mihalick, J.E.; Gatev, G.G.; Brauman, J.I., Electron Photodetachment Spectroscopy of Solvated Anions: RO.HF- or ROH.F-?, J. Am. Chem. Soc., 1996, 118, 49, 12424, https://doi.org/10.1021/ja954202k . [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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