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tBuCH(Et)O anion


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
2.073 ± 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
Deltar1547. ± 8.4kJ/molD-EAMihalick, Gatev, et al., 1996gas phase; Derived BDE: 104.2±2.8 kcal/mol
Deltar1548. ± 8.8kJ/molG+TSBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale
Quantity Value Units Method Reference Comment
Deltar1520. ± 9.2kJ/molH-TSMihalick, Gatev, et al., 1996gas phase; Derived BDE: 104.2±2.8 kcal/mol
Deltar1520. ± 8.4kJ/molIMREBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale

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.

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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