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Aniline, positive ion


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

C6H7N+ + Benzene, n-butyl- = (C6H7N+ bullet Benzene, n-butyl-)

By formula: C6H7N+ + C10H14 = (C6H7N+ bullet C10H14)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar58.2kJ/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Deltar110.J/mol*KN/AMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
22.330.PHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated

C6H7N+ + Benzene, bromo- = (C6H7N+ bullet Benzene, bromo-)

By formula: C6H7N+ + C6H5Br = (C6H7N+ bullet C6H5Br)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar56.9kJ/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Deltar110.J/mol*KN/AMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
21.325.PHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated

C6H7N+ + Benzene, chloro- = (C6H7N+ bullet Benzene, chloro-)

By formula: C6H7N+ + C6H5Cl = (C6H7N+ bullet C6H5Cl)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar49.0kJ/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Deltar110.J/mol*KN/AMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
17.297.PHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated

C6H7N+ + Acenaphthylene = (C6H7N+ bullet Acenaphthylene)

By formula: C6H7N+ + C12H8 = (C6H7N+ bullet C12H8)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar72.0kJ/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Deltar110.J/mol*KN/AMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
36.325.PHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated

C6H7N+ + Azulene = (C6H7N+ bullet Azulene)

By formula: C6H7N+ + C10H8 = (C6H7N+ bullet C10H8)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar58.6kJ/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Deltar110.J/mol*KN/AMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
24.315.PHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated

C6H7N+ + Benzene, iodo- = (C6H7N+ bullet Benzene, iodo-)

By formula: C6H7N+ + C6H5I = (C6H7N+ bullet C6H5I)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar55.6kJ/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Deltar110.J/mol*KN/AMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
20.324.PHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated

C6H7N+ + Naphthalene = (C6H7N+ bullet Naphthalene)

By formula: C6H7N+ + C10H8 = (C6H7N+ bullet C10H8)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar64.4kJ/molPHPMSEl-Shall and Meot-Ner (Mautner), 1987gas phase; Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Deltar110.J/mol*KN/AEl-Shall and Meot-Ner (Mautner), 1987gas phase; Entropy change calculated or estimated

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
31.324.PHPMSEl-Shall and Meot-Ner (Mautner), 1987gas phase; Entropy change calculated or estimated

C6H7N+ + Benzene, (trifluoromethyl)- = (C6H7N+ bullet Benzene, (trifluoromethyl)-)

By formula: C6H7N+ + C7H5F3 = (C6H7N+ bullet C7H5F3)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar49.4kJ/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Deltar110.J/mol*KN/AMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
17.300.PHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated

C6H7N+ + Benzene, hexafluoro- = (C6H7N+ bullet Benzene, hexafluoro-)

By formula: C6H7N+ + C6F6 = (C6H7N+ bullet C6F6)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar47.3kJ/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Deltar110.J/mol*KN/AMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Deltar15.kJ/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated

C6H7N+ + Benzonitrile = (C6H7N+ bullet Benzonitrile)

By formula: C6H7N+ + C7H5N = (C6H7N+ bullet C7H5N)

Quantity Value Units Method Reference Comment
Deltar81.2kJ/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Deltar88.J/mol*KN/AMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
51.5338.PHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated

C6H7N+ + Methane, nitro- = (C6H7N+ bullet Methane, nitro-)

By formula: C6H7N+ + CH3NO2 = (C6H7N+ bullet CH3NO2)

Quantity Value Units Method Reference Comment
Deltar60.2kJ/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Deltar75.J/mol*KN/AMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
34.343.PHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated

C6H7N+ + Methane, iodo- = (C6H7N+ bullet Methane, iodo-)

By formula: C6H7N+ + CH3I = (C6H7N+ bullet CH3I)

Quantity Value Units Method Reference Comment
Deltar41.kJ/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Deltar75.J/mol*KN/AMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
18.299.PHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated

C6H7N+ + Benzene, nitro- = (C6H7N+ bullet Benzene, nitro-)

By formula: C6H7N+ + C6H5NO2 = (C6H7N+ bullet C6H5NO2)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar74.1kJ/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase
Quantity Value Units Method Reference Comment
Deltar88.7J/mol*KPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
44.8324.PHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase

C6H7N+ + p-Xylene = (C6H7N+ bullet p-Xylene)

By formula: C6H7N+ + C8H10 = (C6H7N+ bullet C8H10)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar59.4kJ/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase
Quantity Value Units Method Reference Comment
Deltar110.J/mol*KPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
24.322.PHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase

C6H7N+ + Mesitylene = (C6H7N+ bullet Mesitylene)

By formula: C6H7N+ + C9H12 = (C6H7N+ bullet C9H12)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar64.0kJ/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase
Quantity Value Units Method Reference Comment
Deltar107.J/mol*KPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase

C6H7N+ + Toluene = (C6H7N+ bullet Toluene)

By formula: C6H7N+ + C7H8 = (C6H7N+ bullet C7H8)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar57.3kJ/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase
Quantity Value Units Method Reference Comment
Deltar109.J/mol*KPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase

C6H7N+ + Benzene, fluoro- = (C6H7N+ bullet Benzene, fluoro-)

By formula: C6H7N+ + C6H5F = (C6H7N+ bullet C6H5F)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar49.0kJ/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase
Quantity Value Units Method Reference Comment
Deltar111.J/mol*KPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase

C6H7N+ + Aniline = (C6H7N+ bullet Aniline)

By formula: C6H7N+ + C6H7N = (C6H7N+ bullet C6H7N)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar73.2kJ/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase
Quantity Value Units Method Reference Comment
Deltar103.J/mol*KPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase

C6H7N+ + Benzene = (C6H7N+ bullet Benzene)

By formula: C6H7N+ + C6H6 = (C6H7N+ bullet C6H6)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar49.8kJ/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase
Quantity Value Units Method Reference Comment
Deltar94.6J/mol*KPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase

C6H7N+ + Acenaphthene = (C6H7N+ bullet Acenaphthene)

By formula: C6H7N+ + C12H10 = (C6H7N+ bullet C12H10)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar73.2kJ/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase
Quantity Value Units Method Reference Comment
Deltar115.J/mol*KPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase

C6H7N+ + Benzene, hexamethyl- = (C6H7N+ bullet Benzene, hexamethyl-)

By formula: C6H7N+ + C12H18 = (C6H7N+ bullet C12H18)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar71.5kJ/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase
Quantity Value Units Method Reference Comment
Deltar102.J/mol*KPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase

C6H7N+ + Naphthalene, 1-bromo- = (C6H7N+ bullet Naphthalene, 1-bromo-)

By formula: C6H7N+ + C10H7Br = (C6H7N+ bullet C10H7Br)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar66.1kJ/molPHPMSEl-Shall and Meot-Ner (Mautner), 1987gas phase
Quantity Value Units Method Reference Comment
Deltar123.J/mol*KPHPMSEl-Shall and Meot-Ner (Mautner), 1987gas phase

C6H7N+ + Naphthalene, 1-methyl- = (C6H7N+ bullet Naphthalene, 1-methyl-)

By formula: C6H7N+ + C11H10 = (C6H7N+ bullet C11H10)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar66.1kJ/molPHPMSEl-Shall and Meot-Ner (Mautner), 1987gas phase
Quantity Value Units Method Reference Comment
Deltar105.J/mol*KPHPMSEl-Shall and Meot-Ner (Mautner), 1987gas phase

C6H7N+ + Acetonitrile = (C6H7N+ bullet Acetonitrile)

By formula: C6H7N+ + C2H3N = (C6H7N+ bullet C2H3N)

Quantity Value Units Method Reference Comment
Deltar72.4kJ/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase
Quantity Value Units Method Reference Comment
Deltar74.5J/mol*KPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas 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

C6H7N+ + Methane, iodo- = (C6H7N+ bullet Methane, iodo-)

By formula: C6H7N+ + CH3I = (C6H7N+ bullet CH3I)

Quantity Value Units Method Reference Comment
Deltar41.kJ/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Deltar75.J/mol*KN/AMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
18.299.PHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated

C6H7N+ + Methane, nitro- = (C6H7N+ bullet Methane, nitro-)

By formula: C6H7N+ + CH3NO2 = (C6H7N+ bullet CH3NO2)

Quantity Value Units Method Reference Comment
Deltar60.2kJ/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Deltar75.J/mol*KN/AMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
34.343.PHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated

C6H7N+ + Acetonitrile = (C6H7N+ bullet Acetonitrile)

By formula: C6H7N+ + C2H3N = (C6H7N+ bullet C2H3N)

Quantity Value Units Method Reference Comment
Deltar72.4kJ/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase
Quantity Value Units Method Reference Comment
Deltar74.5J/mol*KPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase

C6H7N+ + Benzene, hexafluoro- = (C6H7N+ bullet Benzene, hexafluoro-)

By formula: C6H7N+ + C6F6 = (C6H7N+ bullet C6F6)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar47.3kJ/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Deltar110.J/mol*KN/AMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Deltar15.kJ/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated

C6H7N+ + Benzene, bromo- = (C6H7N+ bullet Benzene, bromo-)

By formula: C6H7N+ + C6H5Br = (C6H7N+ bullet C6H5Br)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar56.9kJ/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Deltar110.J/mol*KN/AMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
21.325.PHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated

C6H7N+ + Benzene, chloro- = (C6H7N+ bullet Benzene, chloro-)

By formula: C6H7N+ + C6H5Cl = (C6H7N+ bullet C6H5Cl)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar49.0kJ/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Deltar110.J/mol*KN/AMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
17.297.PHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated

C6H7N+ + Benzene, fluoro- = (C6H7N+ bullet Benzene, fluoro-)

By formula: C6H7N+ + C6H5F = (C6H7N+ bullet C6H5F)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar49.0kJ/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase
Quantity Value Units Method Reference Comment
Deltar111.J/mol*KPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase

C6H7N+ + Benzene, iodo- = (C6H7N+ bullet Benzene, iodo-)

By formula: C6H7N+ + C6H5I = (C6H7N+ bullet C6H5I)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar55.6kJ/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Deltar110.J/mol*KN/AMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
20.324.PHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated

C6H7N+ + Benzene, nitro- = (C6H7N+ bullet Benzene, nitro-)

By formula: C6H7N+ + C6H5NO2 = (C6H7N+ bullet C6H5NO2)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar74.1kJ/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase
Quantity Value Units Method Reference Comment
Deltar88.7J/mol*KPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
44.8324.PHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase

C6H7N+ + Benzene = (C6H7N+ bullet Benzene)

By formula: C6H7N+ + C6H6 = (C6H7N+ bullet C6H6)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar49.8kJ/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase
Quantity Value Units Method Reference Comment
Deltar94.6J/mol*KPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase

C6H7N+ + Aniline = (C6H7N+ bullet Aniline)

By formula: C6H7N+ + C6H7N = (C6H7N+ bullet C6H7N)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar73.2kJ/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase
Quantity Value Units Method Reference Comment
Deltar103.J/mol*KPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase

C6H7N+ + Benzene, (trifluoromethyl)- = (C6H7N+ bullet Benzene, (trifluoromethyl)-)

By formula: C6H7N+ + C7H5F3 = (C6H7N+ bullet C7H5F3)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar49.4kJ/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Deltar110.J/mol*KN/AMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
17.300.PHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated

C6H7N+ + Benzonitrile = (C6H7N+ bullet Benzonitrile)

By formula: C6H7N+ + C7H5N = (C6H7N+ bullet C7H5N)

Quantity Value Units Method Reference Comment
Deltar81.2kJ/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Deltar88.J/mol*KN/AMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
51.5338.PHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated

C6H7N+ + Toluene = (C6H7N+ bullet Toluene)

By formula: C6H7N+ + C7H8 = (C6H7N+ bullet C7H8)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar57.3kJ/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase
Quantity Value Units Method Reference Comment
Deltar109.J/mol*KPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase

C6H7N+ + p-Xylene = (C6H7N+ bullet p-Xylene)

By formula: C6H7N+ + C8H10 = (C6H7N+ bullet C8H10)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar59.4kJ/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase
Quantity Value Units Method Reference Comment
Deltar110.J/mol*KPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
24.322.PHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase

C6H7N+ + Mesitylene = (C6H7N+ bullet Mesitylene)

By formula: C6H7N+ + C9H12 = (C6H7N+ bullet C9H12)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar64.0kJ/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase
Quantity Value Units Method Reference Comment
Deltar107.J/mol*KPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase

C6H7N+ + Naphthalene, 1-bromo- = (C6H7N+ bullet Naphthalene, 1-bromo-)

By formula: C6H7N+ + C10H7Br = (C6H7N+ bullet C10H7Br)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar66.1kJ/molPHPMSEl-Shall and Meot-Ner (Mautner), 1987gas phase
Quantity Value Units Method Reference Comment
Deltar123.J/mol*KPHPMSEl-Shall and Meot-Ner (Mautner), 1987gas phase

C6H7N+ + Naphthalene = (C6H7N+ bullet Naphthalene)

By formula: C6H7N+ + C10H8 = (C6H7N+ bullet C10H8)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar64.4kJ/molPHPMSEl-Shall and Meot-Ner (Mautner), 1987gas phase; Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Deltar110.J/mol*KN/AEl-Shall and Meot-Ner (Mautner), 1987gas phase; Entropy change calculated or estimated

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
31.324.PHPMSEl-Shall and Meot-Ner (Mautner), 1987gas phase; Entropy change calculated or estimated

C6H7N+ + Azulene = (C6H7N+ bullet Azulene)

By formula: C6H7N+ + C10H8 = (C6H7N+ bullet C10H8)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar58.6kJ/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Deltar110.J/mol*KN/AMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
24.315.PHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated

C6H7N+ + Benzene, n-butyl- = (C6H7N+ bullet Benzene, n-butyl-)

By formula: C6H7N+ + C10H14 = (C6H7N+ bullet C10H14)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar58.2kJ/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Deltar110.J/mol*KN/AMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
22.330.PHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated

C6H7N+ + Naphthalene, 1-methyl- = (C6H7N+ bullet Naphthalene, 1-methyl-)

By formula: C6H7N+ + C11H10 = (C6H7N+ bullet C11H10)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar66.1kJ/molPHPMSEl-Shall and Meot-Ner (Mautner), 1987gas phase
Quantity Value Units Method Reference Comment
Deltar105.J/mol*KPHPMSEl-Shall and Meot-Ner (Mautner), 1987gas phase

C6H7N+ + Acenaphthylene = (C6H7N+ bullet Acenaphthylene)

By formula: C6H7N+ + C12H8 = (C6H7N+ bullet C12H8)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar72.0kJ/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Deltar110.J/mol*KN/AMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
36.325.PHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated

C6H7N+ + Acenaphthene = (C6H7N+ bullet Acenaphthene)

By formula: C6H7N+ + C12H10 = (C6H7N+ bullet C12H10)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar73.2kJ/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase
Quantity Value Units Method Reference Comment
Deltar115.J/mol*KPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase

C6H7N+ + Benzene, hexamethyl- = (C6H7N+ bullet Benzene, hexamethyl-)

By formula: C6H7N+ + C12H18 = (C6H7N+ bullet C12H18)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar71.5kJ/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase
Quantity Value Units Method Reference Comment
Deltar102.J/mol*KPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas 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.

Meot-Ner (Mautner) and El-Shall, 1986
Meot-Ner (Mautner), M.; El-Shall, M.S., Ionic Charge Transfer Complexes. 1. Cationic Complexes with Delocalized and Partially Localized pi Systems, J. Am. Chem. Soc., 1986, 108, 15, 4386, https://doi.org/10.1021/ja00275a026 . [all data]

El-Shall and Meot-Ner (Mautner), 1987
El-Shall, M.S.; Meot-Ner (Mautner), M., Ionic Charge Transfer Complexes. 3. Delocalised pi Systems as Electron Acceptors and Donors, J. Phys. Chem., 1987, 91, 5, 1088, https://doi.org/10.1021/j100289a017 . [all data]


Notes

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