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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+ bullet Water)

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

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar14.0kcal/molPHPMSNicol, Sunner, et al., 1988gas phase
Deltar13.8kcal/molPHPMSHiraoka, Takimoto, et al., 1987gas phase
Deltar16.kcal/molPHPMSMeot-Ner (Mautner), Ross, et al., 1985gas phase; Entropy change calculated or estimated, «DELTA»rH<
Quantity Value Units Method Reference Comment
Deltar23.3cal/mol*KPHPMSNicol, Sunner, et al., 1988gas phase
Deltar22.0cal/mol*KPHPMSHiraoka, Takimoto, et al., 1987gas phase
Deltar32.cal/mol*KN/AMeot-Ner (Mautner), Ross, et al., 1985gas phase; Entropy change calculated or estimated, «DELTA»rH<

Free energy of reaction

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

(C4H6N+ bullet Water) + Water = (C4H6N+ bullet 2Water)

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

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar10.4kcal/molPHPMSNicol, Sunner, et al., 1988gas phase
Deltar10.9kcal/molPHPMSHiraoka, Takimoto, et al., 1987gas phase
Quantity Value Units Method Reference Comment
Deltar22.6cal/mol*KPHPMSNicol, Sunner, et al., 1988gas phase
Deltar23.7cal/mol*KPHPMSHiraoka, Takimoto, et al., 1987gas phase

(C4H6N+ bullet Pyrrole) + Pyrrole = (C4H6N+ bullet 2Pyrrole)

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

Quantity Value Units Method Reference Comment
Deltar12.3kcal/molPHPMSHiraoka, Takimoto, et al., 1987gas phase
Quantity Value Units Method Reference Comment
Deltar30.4cal/mol*KPHPMSHiraoka, Takimoto, et al., 1987gas phase

C4H6N+ + Pyrrole = (C4H6N+ bullet Pyrrole)

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

Quantity Value Units Method Reference Comment
Deltar16.8kcal/molPHPMSHiraoka, Takimoto, et al., 1987gas phase
Quantity Value Units Method Reference Comment
Deltar24.7cal/mol*KPHPMSHiraoka, Takimoto, et al., 1987gas phase

References

Go To: Top, Reaction thermochemistry 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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