Home Symbol which looks like a small house Up Solid circle with an upward pointer in it

Pyrrole, protonated


Reaction thermochemistry data

Go To: Top, Ion clustering data, References, Notes

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

Ion clustering data

Go To: Top, Reaction thermochemistry data, References, Notes

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+ 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

(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+ + 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

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

Go To: Top, Reaction thermochemistry data, Ion clustering data, References