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iPrO 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

C3H7O- + Hydrogen cation = Isopropyl Alcohol

By formula: C3H7O- + H+ = C3H8O

Quantity Value Units Method Reference Comment
Deltar1569. ± 4.2kJ/molD-EARamond, Davico, et al., 2000gas phase
Deltar1571. ± 8.8kJ/molG+TSBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale
Deltar1576. ± 4.2kJ/molCIDTDeTuri and Ervin, 1999gas phase
Deltar1572. ± 8.4kJ/molCIDCHaas and Harrison, 1993gas phase; Both metastable and 50 eV collision energy.
Quantity Value Units Method Reference Comment
Deltar1542. ± 4.6kJ/molH-TSRamond, Davico, et al., 2000gas phase
Deltar1543. ± 8.4kJ/molIMREBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale
Deltar1544. ± 8.8kJ/molH-TSHaas and Harrison, 1993gas phase; Both metastable and 50 eV collision energy.

C3H7O- + Fluoroform = C4H8F3O-

By formula: C3H7O- + CHF3 = C4H8F3O-

Quantity Value Units Method Reference Comment
Deltar88.3 ± 4.2kJ/molIMREChabinyc and Brauman, 1998gas phase
Quantity Value Units Method Reference Comment
Deltar59.4 ± 4.2kJ/molIMREChabinyc and Brauman, 1998gas phase

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

Protonation reactions

C3H7O- + Hydrogen cation = Isopropyl Alcohol

By formula: C3H7O- + H+ = C3H8O

Quantity Value Units Method Reference Comment
Deltar1569. ± 4.2kJ/molD-EARamond, Davico, et al., 2000gas phase
Deltar1571. ± 8.8kJ/molG+TSBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale
Deltar1576. ± 4.2kJ/molCIDTDeTuri and Ervin, 1999gas phase
Deltar1572. ± 8.4kJ/molCIDCHaas and Harrison, 1993gas phase; Both metastable and 50 eV collision energy.
Quantity Value Units Method Reference Comment
Deltar1542. ± 4.6kJ/molH-TSRamond, Davico, et al., 2000gas phase
Deltar1543. ± 8.4kJ/molIMREBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale
Deltar1544. ± 8.8kJ/molH-TSHaas and Harrison, 1993gas phase; Both metastable and 50 eV collision energy.

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

C3H7O- + Fluoroform = C4H8F3O-

By formula: C3H7O- + CHF3 = C4H8F3O-

Quantity Value Units Method Reference Comment
Deltar88.3 ± 4.2kJ/molIMREChabinyc and Brauman, 1998gas phase
Quantity Value Units Method Reference Comment
Deltar59.4 ± 4.2kJ/molIMREChabinyc and Brauman, 1998gas phase

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.

Ramond, Davico, et al., 2000
Ramond, T.M.; Davico, G.E.; Schwartz, R.L.; Lineberger, W.C., Vibronic structure of alkoxy radicals via photoelectron spectroscopy, J. Chem. Phys., 2000, 112, 3, 1158-1169, https://doi.org/10.1063/1.480767 . [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]

DeTuri and Ervin, 1999
DeTuri, V.F.; Ervin, K.M., Competitive threshold collision-induced dissociation: Gas-phase acidities and bond dissociation energies for a series of alcohols, J. Phys. Chem. A, 1999, 103, 35, 6911-6920, https://doi.org/10.1021/jp991459m . [all data]

Haas and Harrison, 1993
Haas, M.J.; Harrison, A.G., The Fragmentation of Proton-Bound Cluster Ions and the Gas-Phase Acidities of Alcohols, Int. J. Mass Spectrom. Ion Proc., 1993, 124, 2, 115, https://doi.org/10.1016/0168-1176(93)80003-W . [all data]

Chabinyc and Brauman, 1998
Chabinyc, M.L.; Brauman, J.I., Acidity, basicity, and the stability of hydrogen bonds: Complexes of RO-+HCF3, J. Am. Chem. Soc., 1998, 120, 42, 10863-10870, https://doi.org/10.1021/ja9817592 . [all data]


Notes

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