Pyrrole, positive ion


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: Michael M. Meot-Ner (Mautner) and Sharon G. Lias

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Individual Reactions

(C4H5N+ • Water) + Water = (C4H5N+ • 2Water)

By formula: (C4H5N+ • H2O) + H2O = (C4H5N+ • 2H2O)

Quantity Value Units Method Reference Comment
Δr8.6kcal/molPHPMSHiraoka, Takimoto, et al., 1987gas phase; Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Δr15.cal/mol*KN/AHiraoka, Takimoto, et al., 1987gas phase; Entropy change calculated or estimated

(C4H5N+ • Pyrrole) + Pyrrole = (C4H5N+ • 2Pyrrole)

By formula: (C4H5N+ • C4H5N) + C4H5N = (C4H5N+ • 2C4H5N)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Δr13.8kcal/molPHPMSHiraoka, Takimoto, et al., 1987gas phase
Quantity Value Units Method Reference Comment
Δr29.2cal/mol*KPHPMSHiraoka, Takimoto, et al., 1987gas phase

C4H5N+ + Pyrrole = (C4H5N+ • Pyrrole)

By formula: C4H5N+ + C4H5N = (C4H5N+ • C4H5N)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Δr16.5kcal/molPHPMSHiraoka, Takimoto, et al., 1987gas phase
Quantity Value Units Method Reference Comment
Δr20.3cal/mol*KPHPMSHiraoka, Takimoto, et al., 1987gas phase

C4H5N+ + Water = (C4H5N+ • Water)

By formula: C4H5N+ + H2O = (C4H5N+ • H2O)

Quantity Value Units Method Reference Comment
Δr11.7kcal/molPHPMSHiraoka, Takimoto, et al., 1987gas phase
Quantity Value Units Method Reference Comment
Δr15.5cal/mol*KPHPMSHiraoka, Takimoto, et al., 1987gas phase

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.

Hiraoka, Takimoto, et al., 1987
Hiraoka, K.; Takimoto, H.; Yamabe, S., Stabilities and Structures in Cluster Ions of Five-Membered Heterocyclic Compounds Containing O, N and S Atoms, J. Am. Chem. Soc., 1987, 109, 24, 7346, https://doi.org/10.1021/ja00258a018 . [all data]


Notes

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