Pyrrole, protonated


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

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

C4H6N+ + Water = (C4H6N+ • Water)

By formula: C4H6N+ + H2O = (C4H6N+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr14.0kcal/molPHPMSNicol, Sunner, et al., 1988gas phase
Δr13.8kcal/molPHPMSHiraoka, Takimoto, et al., 1987gas phase
Δr16.kcal/molPHPMSMeot-Ner (Mautner), Ross, et al., 1985gas phase; Entropy change calculated or estimated, ΔrH<
Quantity Value Units Method Reference Comment
Δr23.3cal/mol*KPHPMSNicol, Sunner, et al., 1988gas phase
Δr22.0cal/mol*KPHPMSHiraoka, Takimoto, et al., 1987gas phase
Δr32.cal/mol*KN/AMeot-Ner (Mautner), Ross, et al., 1985gas phase; Entropy change calculated or estimated, ΔrH<

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
4.9344.PHPMSMeot-Ner (Mautner), Ross, et al., 1985gas phase; Entropy change calculated or estimated, ΔrH<

(C4H6N+ • Water) + Water = (C4H6N+ • 2Water)

By formula: (C4H6N+ • H2O) + H2O = (C4H6N+ • 2H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr10.4kcal/molPHPMSNicol, Sunner, et al., 1988gas phase
Δr10.9kcal/molPHPMSHiraoka, Takimoto, et al., 1987gas phase
Quantity Value Units Method Reference Comment
Δr22.6cal/mol*KPHPMSNicol, Sunner, et al., 1988gas phase
Δr23.7cal/mol*KPHPMSHiraoka, Takimoto, et al., 1987gas phase

(C4H6N+ • Pyrrole) + Pyrrole = (C4H6N+ • 2Pyrrole)

By formula: (C4H6N+ • C4H5N) + C4H5N = (C4H6N+ • 2C4H5N)

Quantity Value Units Method Reference Comment
Δr12.3kcal/molPHPMSHiraoka, Takimoto, et al., 1987gas phase
Quantity Value Units Method Reference Comment
Δr30.4cal/mol*KPHPMSHiraoka, Takimoto, et al., 1987gas phase

C4H6N+ + Pyrrole = (C4H6N+ • Pyrrole)

By formula: C4H6N+ + C4H5N = (C4H6N+ • C4H5N)

Quantity Value Units Method Reference Comment
Δr16.8kcal/molPHPMSHiraoka, Takimoto, et al., 1987gas phase
Quantity Value Units Method Reference Comment
Δr24.7cal/mol*KPHPMSHiraoka, Takimoto, et al., 1987gas phase

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

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

C4H6N+ + Pyrrole = (C4H6N+ • Pyrrole)

By formula: C4H6N+ + C4H5N = (C4H6N+ • C4H5N)

Quantity Value Units Method Reference Comment
Δr16.8kcal/molPHPMSHiraoka, Takimoto, et al., 1987gas phase
Quantity Value Units Method Reference Comment
Δr24.7cal/mol*KPHPMSHiraoka, Takimoto, et al., 1987gas phase

(C4H6N+ • Pyrrole) + Pyrrole = (C4H6N+ • 2Pyrrole)

By formula: (C4H6N+ • C4H5N) + C4H5N = (C4H6N+ • 2C4H5N)

Quantity Value Units Method Reference Comment
Δr12.3kcal/molPHPMSHiraoka, Takimoto, et al., 1987gas phase
Quantity Value Units Method Reference Comment
Δr30.4cal/mol*KPHPMSHiraoka, Takimoto, et al., 1987gas phase

C4H6N+ + Water = (C4H6N+ • Water)

By formula: C4H6N+ + H2O = (C4H6N+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr14.0kcal/molPHPMSNicol, Sunner, et al., 1988gas phase
Δr13.8kcal/molPHPMSHiraoka, Takimoto, et al., 1987gas phase
Δr16.kcal/molPHPMSMeot-Ner (Mautner), Ross, et al., 1985gas phase; Entropy change calculated or estimated, ΔrH<
Quantity Value Units Method Reference Comment
Δr23.3cal/mol*KPHPMSNicol, Sunner, et al., 1988gas phase
Δr22.0cal/mol*KPHPMSHiraoka, Takimoto, et al., 1987gas phase
Δr32.cal/mol*KN/AMeot-Ner (Mautner), Ross, et al., 1985gas phase; Entropy change calculated or estimated, ΔrH<

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
4.9344.PHPMSMeot-Ner (Mautner), Ross, et al., 1985gas phase; Entropy change calculated or estimated, ΔrH<

(C4H6N+ • Water) + Water = (C4H6N+ • 2Water)

By formula: (C4H6N+ • H2O) + H2O = (C4H6N+ • 2H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr10.4kcal/molPHPMSNicol, Sunner, et al., 1988gas phase
Δr10.9kcal/molPHPMSHiraoka, Takimoto, et al., 1987gas phase
Quantity Value Units Method Reference Comment
Δr22.6cal/mol*KPHPMSNicol, Sunner, et al., 1988gas phase
Δr23.7cal/mol*KPHPMSHiraoka, Takimoto, et al., 1987gas phase

References

Go To: Top, Reaction thermochemistry 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.

Nicol, Sunner, et al., 1988
Nicol, G.; Sunner, J.; Kebarle, P., Kinetics and Thermodynamics of Protonation Reactions: H3O+(H2O)h + B = BH+(H2O)b + (h - b +1)H2O, where B is a Nitrogen, Oxygen or Carbon Base, Int. J. Mass Spectrom. Ion Proc., 1988, 84, 1-2, 135, https://doi.org/10.1016/0168-1176(88)83032-5 . [all data]

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]

Meot-Ner (Mautner), Ross, et al., 1985
Meot-Ner (Mautner), M.; Ross, M.M.; Campana, J.E., Stable Hydrogen - Bonded Isomers of Covalent Ions, J. Am. Chem. Soc., 1985, 107, 4835. [all data]


Notes

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