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Acetonitrile, 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

C2H4N+ + Acetonitrile = (C2H4N+ bullet Acetonitrile)

By formula: C2H4N+ + C2H3N = (C2H4N+ bullet C2H3N)

Quantity Value Units Method Reference Comment
Deltar31.1 ± 2.3kcal/molCIDHonma, Sunderlin, et al., 1993gas phase; guided ion beam CID
Deltar28.9kcal/molPHPMSAllison, Cramer, et al., 1991gas phase
Deltar29.8kcal/molPHPMSDeakyne, Meot-Ner (Mautner), et al., 1986gas phase; n
Deltar29.8kcal/molPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase
Deltar30.2kcal/molPHPMSMeot-Ner (Mautner), 1978gas phase
Quantity Value Units Method Reference Comment
Deltar27.2cal/mol*KPHPMSAllison, Cramer, et al., 1991gas phase
Deltar24.8cal/mol*KPHPMSDeakyne, Meot-Ner (Mautner), et al., 1986gas phase; n
Deltar24.7cal/mol*KPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase
Deltar29.cal/mol*KPHPMSMeot-Ner (Mautner), 1978gas phase

(C2H4N+ bullet Water bullet 2Acetonitrile) + Water = (C2H4N+ bullet 2Water bullet 2Acetonitrile)

By formula: (C2H4N+ bullet H2O bullet 2C2H3N) + H2O = (C2H4N+ bullet 2H2O bullet 2C2H3N)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar9.7kcal/molPHPMSDeakyne, Meot-Ner (Mautner), et al., 1986gas phase; n, Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Deltar22.cal/mol*KN/ADeakyne, Meot-Ner (Mautner), et al., 1986gas phase; n, Entropy change calculated or estimated

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
2.8316.PHPMSDeakyne, Meot-Ner (Mautner), et al., 1986gas phase; n, Entropy change calculated or estimated

C2H4N+ + Water = (C2H4N+ bullet Water)

By formula: C2H4N+ + H2O = (C2H4N+ bullet H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar22.1 ± 1.4kcal/molCIDHonma, Sunderlin, et al., 1993gas phase; guided ion beam CID
Deltar22.8kcal/molPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase
Deltar24.8kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase
Quantity Value Units Method Reference Comment
Deltar24.5cal/mol*KPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase
Deltar28.4cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase

(C2H4N+ bullet Acetonitrile bullet 4Water) + Acetonitrile = (C2H4N+ bullet 2Acetonitrile bullet 4Water)

By formula: (C2H4N+ bullet C2H3N bullet 4H2O) + C2H3N = (C2H4N+ bullet 2C2H3N bullet 4H2O)

Quantity Value Units Method Reference Comment
Deltar14.4kcal/molPHPMSDeakyne, Meot-Ner (Mautner), et al., 1986gas phase; n, Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Deltar22.cal/mol*KN/ADeakyne, Meot-Ner (Mautner), et al., 1986gas phase; n, Entropy change calculated or estimated

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
7.4318.PHPMSDeakyne, Meot-Ner (Mautner), et al., 1986gas phase; n, Entropy change calculated or estimated

(C2H4N+ bullet Water) + Water = (C2H4N+ bullet 2Water)

By formula: (C2H4N+ bullet H2O) + H2O = (C2H4N+ bullet 2H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar15.0 ± 1.7kcal/molCIDHonma, Sunderlin, et al., 1993gas phase; guided ion beam CID
Deltar17.5kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase
Quantity Value Units Method Reference Comment
Deltar25.1cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase

(C2H4N+ bullet 2Water bullet Acetonitrile) + Water = (C2H4N+ bullet 3Water bullet Acetonitrile)

By formula: (C2H4N+ bullet 2H2O bullet C2H3N) + H2O = (C2H4N+ bullet 3H2O bullet C2H3N)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar10.3kcal/molPHPMSDeakyne, Meot-Ner (Mautner), et al., 1986gas phase; n
Quantity Value Units Method Reference Comment
Deltar22.3cal/mol*KPHPMSDeakyne, Meot-Ner (Mautner), et al., 1986gas phase; n

(C2H4N+ bullet Water bullet Acetonitrile) + Water = (C2H4N+ bullet 2Water bullet Acetonitrile)

By formula: (C2H4N+ bullet H2O bullet C2H3N) + H2O = (C2H4N+ bullet 2H2O bullet C2H3N)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar15.3kcal/molPHPMSDeakyne, Meot-Ner (Mautner), et al., 1986gas phase; n
Quantity Value Units Method Reference Comment
Deltar25.2cal/mol*KPHPMSDeakyne, Meot-Ner (Mautner), et al., 1986gas phase; n

(C2H4N+ bullet Methyl Alcohol bullet Acetonitrile) + Methyl Alcohol = (C2H4N+ bullet 2Methyl Alcohol bullet Acetonitrile)

By formula: (C2H4N+ bullet CH4O bullet C2H3N) + CH4O = (C2H4N+ bullet 2CH4O bullet C2H3N)

Bond type: Hydrogen bonds of the type NH+-O between organics

Quantity Value Units Method Reference Comment
Deltar13.7kcal/molPHPMSEl-Shall, Olafsdottir, et al., 1991gas phase
Quantity Value Units Method Reference Comment
Deltar24.1cal/mol*KPHPMSEl-Shall, Olafsdottir, et al., 1991gas phase

(C2H4N+ bullet Acetonitrile) + Water = (C2H4N+ bullet Water bullet Acetonitrile)

By formula: (C2H4N+ bullet C2H3N) + H2O = (C2H4N+ bullet H2O bullet C2H3N)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar15.9kcal/molPHPMSDeakyne, Meot-Ner (Mautner), et al., 1986gas phase; n
Quantity Value Units Method Reference Comment
Deltar24.6cal/mol*KPHPMSDeakyne, Meot-Ner (Mautner), et al., 1986gas phase; n

(C2H4N+ bullet 2Methyl Alcohol) + Methyl Alcohol = (C2H4N+ bullet 3Methyl Alcohol)

By formula: (C2H4N+ bullet 2CH4O) + CH4O = (C2H4N+ bullet 3CH4O)

Bond type: Hydrogen bonds of the type NH+-O between organics

Quantity Value Units Method Reference Comment
Deltar13.9kcal/molPHPMSEl-Shall, Olafsdottir, et al., 1991gas phase
Quantity Value Units Method Reference Comment
Deltar24.4cal/mol*KPHPMSEl-Shall, Olafsdottir, et al., 1991gas phase

(C2H4N+ bullet Methyl Alcohol) + Methyl Alcohol = (C2H4N+ bullet 2Methyl Alcohol)

By formula: (C2H4N+ bullet CH4O) + CH4O = (C2H4N+ bullet 2CH4O)

Bond type: Hydrogen bonds of the type NH+-O between organics

Quantity Value Units Method Reference Comment
Deltar20.9kcal/molPHPMSEl-Shall, Olafsdottir, et al., 1991gas phase
Quantity Value Units Method Reference Comment
Deltar26.0cal/mol*KPHPMSEl-Shall, Olafsdottir, et al., 1991gas phase

(C2H4N+ bullet 2Water) + Water = (C2H4N+ bullet 3Water)

By formula: (C2H4N+ bullet 2H2O) + H2O = (C2H4N+ bullet 3H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar15.6kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase
Quantity Value Units Method Reference Comment
Deltar24.8cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase

(C2H4N+ bullet 3Water) + Water = (C2H4N+ bullet 4Water)

By formula: (C2H4N+ bullet 3H2O) + H2O = (C2H4N+ bullet 4H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar11.2kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase
Quantity Value Units Method Reference Comment
Deltar21.8cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase

(C2H4N+ bullet 4Water) + Water = (C2H4N+ bullet 5Water)

By formula: (C2H4N+ bullet 4H2O) + H2O = (C2H4N+ bullet 5H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar10.4kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase
Quantity Value Units Method Reference Comment
Deltar23.4cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase

(C2H4N+ bullet 5Water) + Water = (C2H4N+ bullet 6Water)

By formula: (C2H4N+ bullet 5H2O) + H2O = (C2H4N+ bullet 6H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar10.1kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase
Quantity Value Units Method Reference Comment
Deltar25.5cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase

(C2H4N+ bullet Acetonitrile bullet Water) + Acetonitrile = (C2H4N+ bullet 2Acetonitrile bullet Water)

By formula: (C2H4N+ bullet C2H3N bullet H2O) + C2H3N = (C2H4N+ bullet 2C2H3N bullet H2O)

Quantity Value Units Method Reference Comment
Deltar20.6kcal/molPHPMSDeakyne, Meot-Ner (Mautner), et al., 1986gas phase; n
Quantity Value Units Method Reference Comment
Deltar27.3cal/mol*KPHPMSDeakyne, Meot-Ner (Mautner), et al., 1986gas phase; n

(C2H4N+ bullet Water) + Acetonitrile = (C2H4N+ bullet Acetonitrile bullet Water)

By formula: (C2H4N+ bullet H2O) + C2H3N = (C2H4N+ bullet C2H3N bullet H2O)

Quantity Value Units Method Reference Comment
Deltar23.4kcal/molPHPMSDeakyne, Meot-Ner (Mautner), et al., 1986gas phase; n
Quantity Value Units Method Reference Comment
Deltar24.7cal/mol*KPHPMSDeakyne, Meot-Ner (Mautner), et al., 1986gas phase; n

(C2H4N+ bullet Acetonitrile bullet 2Methyl Alcohol) + Acetonitrile = (C2H4N+ bullet 2Acetonitrile bullet 2Methyl Alcohol)

By formula: (C2H4N+ bullet C2H3N bullet 2CH4O) + C2H3N = (C2H4N+ bullet 2C2H3N bullet 2CH4O)

Quantity Value Units Method Reference Comment
Deltar15.6kcal/molPHPMSEl-Shall, Olafsdottir, et al., 1991gas phase
Quantity Value Units Method Reference Comment
Deltar21.6cal/mol*KPHPMSEl-Shall, Olafsdottir, et al., 1991gas phase

(C2H4N+ bullet Acetonitrile bullet Methyl Alcohol) + Acetonitrile = (C2H4N+ bullet 2Acetonitrile bullet Methyl Alcohol)

By formula: (C2H4N+ bullet C2H3N bullet CH4O) + C2H3N = (C2H4N+ bullet 2C2H3N bullet CH4O)

Quantity Value Units Method Reference Comment
Deltar7.0kcal/molPHPMSEl-Shall, Olafsdottir, et al., 1991gas phase
Quantity Value Units Method Reference Comment
Deltar12.4cal/mol*KPHPMSEl-Shall, Olafsdottir, et al., 1991gas phase

C2H4N+ + Hydrogen cyanide = (C2H4N+ bullet Hydrogen cyanide)

By formula: C2H4N+ + CHN = (C2H4N+ bullet CHN)

Quantity Value Units Method Reference Comment
Deltar22.1kcal/molPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase; CD3CNH+
Quantity Value Units Method Reference Comment
Deltar23.1cal/mol*KPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase; CD3CNH+

(C2H4N+ bullet Methyl Alcohol) + Acetonitrile = (C2H4N+ bullet Acetonitrile bullet Methyl Alcohol)

By formula: (C2H4N+ bullet CH4O) + C2H3N = (C2H4N+ bullet C2H3N bullet CH4O)

Quantity Value Units Method Reference Comment
Deltar22.6kcal/molPHPMSEl-Shall, Olafsdottir, et al., 1991gas phase
Quantity Value Units Method Reference Comment
Deltar24.5cal/mol*KPHPMSEl-Shall, Olafsdottir, et al., 1991gas phase

(C2H4N+ bullet Acetonitrile) + Acetonitrile = (C2H4N+ bullet 2Acetonitrile)

By formula: (C2H4N+ bullet C2H3N) + C2H3N = (C2H4N+ bullet 2C2H3N)

Quantity Value Units Method Reference Comment
Deltar9.3kcal/molPHPMSMeot-Ner (Mautner), 1978gas phase
Quantity Value Units Method Reference Comment
Deltar19.cal/mol*KPHPMSMeot-Ner (Mautner), 1978gas 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

C2H4N+ + Hydrogen cyanide = (C2H4N+ bullet Hydrogen cyanide)

By formula: C2H4N+ + CHN = (C2H4N+ bullet CHN)

Quantity Value Units Method Reference Comment
Deltar22.1kcal/molPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase; CD3CNH+
Quantity Value Units Method Reference Comment
Deltar23.1cal/mol*KPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase; CD3CNH+

(C2H4N+ bullet Methyl Alcohol) + Methyl Alcohol = (C2H4N+ bullet 2Methyl Alcohol)

By formula: (C2H4N+ bullet CH4O) + CH4O = (C2H4N+ bullet 2CH4O)

Bond type: Hydrogen bonds of the type NH+-O between organics

Quantity Value Units Method Reference Comment
Deltar20.9kcal/molPHPMSEl-Shall, Olafsdottir, et al., 1991gas phase
Quantity Value Units Method Reference Comment
Deltar26.0cal/mol*KPHPMSEl-Shall, Olafsdottir, et al., 1991gas phase

(C2H4N+ bullet 2Methyl Alcohol) + Methyl Alcohol = (C2H4N+ bullet 3Methyl Alcohol)

By formula: (C2H4N+ bullet 2CH4O) + CH4O = (C2H4N+ bullet 3CH4O)

Bond type: Hydrogen bonds of the type NH+-O between organics

Quantity Value Units Method Reference Comment
Deltar13.9kcal/molPHPMSEl-Shall, Olafsdottir, et al., 1991gas phase
Quantity Value Units Method Reference Comment
Deltar24.4cal/mol*KPHPMSEl-Shall, Olafsdottir, et al., 1991gas phase

(C2H4N+ bullet Methyl Alcohol) + Acetonitrile = (C2H4N+ bullet Acetonitrile bullet Methyl Alcohol)

By formula: (C2H4N+ bullet CH4O) + C2H3N = (C2H4N+ bullet C2H3N bullet CH4O)

Quantity Value Units Method Reference Comment
Deltar22.6kcal/molPHPMSEl-Shall, Olafsdottir, et al., 1991gas phase
Quantity Value Units Method Reference Comment
Deltar24.5cal/mol*KPHPMSEl-Shall, Olafsdottir, et al., 1991gas phase

(C2H4N+ bullet Methyl Alcohol bullet Acetonitrile) + Methyl Alcohol = (C2H4N+ bullet 2Methyl Alcohol bullet Acetonitrile)

By formula: (C2H4N+ bullet CH4O bullet C2H3N) + CH4O = (C2H4N+ bullet 2CH4O bullet C2H3N)

Bond type: Hydrogen bonds of the type NH+-O between organics

Quantity Value Units Method Reference Comment
Deltar13.7kcal/molPHPMSEl-Shall, Olafsdottir, et al., 1991gas phase
Quantity Value Units Method Reference Comment
Deltar24.1cal/mol*KPHPMSEl-Shall, Olafsdottir, et al., 1991gas phase

C2H4N+ + Acetonitrile = (C2H4N+ bullet Acetonitrile)

By formula: C2H4N+ + C2H3N = (C2H4N+ bullet C2H3N)

Quantity Value Units Method Reference Comment
Deltar31.1 ± 2.3kcal/molCIDHonma, Sunderlin, et al., 1993gas phase; guided ion beam CID
Deltar28.9kcal/molPHPMSAllison, Cramer, et al., 1991gas phase
Deltar29.8kcal/molPHPMSDeakyne, Meot-Ner (Mautner), et al., 1986gas phase; n
Deltar29.8kcal/molPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase
Deltar30.2kcal/molPHPMSMeot-Ner (Mautner), 1978gas phase
Quantity Value Units Method Reference Comment
Deltar27.2cal/mol*KPHPMSAllison, Cramer, et al., 1991gas phase
Deltar24.8cal/mol*KPHPMSDeakyne, Meot-Ner (Mautner), et al., 1986gas phase; n
Deltar24.7cal/mol*KPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase
Deltar29.cal/mol*KPHPMSMeot-Ner (Mautner), 1978gas phase

(C2H4N+ bullet Acetonitrile bullet Methyl Alcohol) + Acetonitrile = (C2H4N+ bullet 2Acetonitrile bullet Methyl Alcohol)

By formula: (C2H4N+ bullet C2H3N bullet CH4O) + C2H3N = (C2H4N+ bullet 2C2H3N bullet CH4O)

Quantity Value Units Method Reference Comment
Deltar7.0kcal/molPHPMSEl-Shall, Olafsdottir, et al., 1991gas phase
Quantity Value Units Method Reference Comment
Deltar12.4cal/mol*KPHPMSEl-Shall, Olafsdottir, et al., 1991gas phase

(C2H4N+ bullet Acetonitrile bullet 2Methyl Alcohol) + Acetonitrile = (C2H4N+ bullet 2Acetonitrile bullet 2Methyl Alcohol)

By formula: (C2H4N+ bullet C2H3N bullet 2CH4O) + C2H3N = (C2H4N+ bullet 2C2H3N bullet 2CH4O)

Quantity Value Units Method Reference Comment
Deltar15.6kcal/molPHPMSEl-Shall, Olafsdottir, et al., 1991gas phase
Quantity Value Units Method Reference Comment
Deltar21.6cal/mol*KPHPMSEl-Shall, Olafsdottir, et al., 1991gas phase

(C2H4N+ bullet Acetonitrile) + Acetonitrile = (C2H4N+ bullet 2Acetonitrile)

By formula: (C2H4N+ bullet C2H3N) + C2H3N = (C2H4N+ bullet 2C2H3N)

Quantity Value Units Method Reference Comment
Deltar9.3kcal/molPHPMSMeot-Ner (Mautner), 1978gas phase
Quantity Value Units Method Reference Comment
Deltar19.cal/mol*KPHPMSMeot-Ner (Mautner), 1978gas phase

(C2H4N+ bullet Acetonitrile) + Water = (C2H4N+ bullet Water bullet Acetonitrile)

By formula: (C2H4N+ bullet C2H3N) + H2O = (C2H4N+ bullet H2O bullet C2H3N)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar15.9kcal/molPHPMSDeakyne, Meot-Ner (Mautner), et al., 1986gas phase; n
Quantity Value Units Method Reference Comment
Deltar24.6cal/mol*KPHPMSDeakyne, Meot-Ner (Mautner), et al., 1986gas phase; n

(C2H4N+ bullet Acetonitrile bullet Water) + Acetonitrile = (C2H4N+ bullet 2Acetonitrile bullet Water)

By formula: (C2H4N+ bullet C2H3N bullet H2O) + C2H3N = (C2H4N+ bullet 2C2H3N bullet H2O)

Quantity Value Units Method Reference Comment
Deltar20.6kcal/molPHPMSDeakyne, Meot-Ner (Mautner), et al., 1986gas phase; n
Quantity Value Units Method Reference Comment
Deltar27.3cal/mol*KPHPMSDeakyne, Meot-Ner (Mautner), et al., 1986gas phase; n

(C2H4N+ bullet Acetonitrile bullet 4Water) + Acetonitrile = (C2H4N+ bullet 2Acetonitrile bullet 4Water)

By formula: (C2H4N+ bullet C2H3N bullet 4H2O) + C2H3N = (C2H4N+ bullet 2C2H3N bullet 4H2O)

Quantity Value Units Method Reference Comment
Deltar14.4kcal/molPHPMSDeakyne, Meot-Ner (Mautner), et al., 1986gas phase; n, Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Deltar22.cal/mol*KN/ADeakyne, Meot-Ner (Mautner), et al., 1986gas phase; n, Entropy change calculated or estimated

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
7.4318.PHPMSDeakyne, Meot-Ner (Mautner), et al., 1986gas phase; n, Entropy change calculated or estimated

C2H4N+ + Water = (C2H4N+ bullet Water)

By formula: C2H4N+ + H2O = (C2H4N+ bullet H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar22.1 ± 1.4kcal/molCIDHonma, Sunderlin, et al., 1993gas phase; guided ion beam CID
Deltar22.8kcal/molPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase
Deltar24.8kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase
Quantity Value Units Method Reference Comment
Deltar24.5cal/mol*KPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase
Deltar28.4cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase

(C2H4N+ bullet Water) + Acetonitrile = (C2H4N+ bullet Acetonitrile bullet Water)

By formula: (C2H4N+ bullet H2O) + C2H3N = (C2H4N+ bullet C2H3N bullet H2O)

Quantity Value Units Method Reference Comment
Deltar23.4kcal/molPHPMSDeakyne, Meot-Ner (Mautner), et al., 1986gas phase; n
Quantity Value Units Method Reference Comment
Deltar24.7cal/mol*KPHPMSDeakyne, Meot-Ner (Mautner), et al., 1986gas phase; n

(C2H4N+ bullet Water bullet Acetonitrile) + Water = (C2H4N+ bullet 2Water bullet Acetonitrile)

By formula: (C2H4N+ bullet H2O bullet C2H3N) + H2O = (C2H4N+ bullet 2H2O bullet C2H3N)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar15.3kcal/molPHPMSDeakyne, Meot-Ner (Mautner), et al., 1986gas phase; n
Quantity Value Units Method Reference Comment
Deltar25.2cal/mol*KPHPMSDeakyne, Meot-Ner (Mautner), et al., 1986gas phase; n

(C2H4N+ bullet Water bullet 2Acetonitrile) + Water = (C2H4N+ bullet 2Water bullet 2Acetonitrile)

By formula: (C2H4N+ bullet H2O bullet 2C2H3N) + H2O = (C2H4N+ bullet 2H2O bullet 2C2H3N)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar9.7kcal/molPHPMSDeakyne, Meot-Ner (Mautner), et al., 1986gas phase; n, Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Deltar22.cal/mol*KN/ADeakyne, Meot-Ner (Mautner), et al., 1986gas phase; n, Entropy change calculated or estimated

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
2.8316.PHPMSDeakyne, Meot-Ner (Mautner), et al., 1986gas phase; n, Entropy change calculated or estimated

(C2H4N+ bullet 2Water bullet Acetonitrile) + Water = (C2H4N+ bullet 3Water bullet Acetonitrile)

By formula: (C2H4N+ bullet 2H2O bullet C2H3N) + H2O = (C2H4N+ bullet 3H2O bullet C2H3N)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar10.3kcal/molPHPMSDeakyne, Meot-Ner (Mautner), et al., 1986gas phase; n
Quantity Value Units Method Reference Comment
Deltar22.3cal/mol*KPHPMSDeakyne, Meot-Ner (Mautner), et al., 1986gas phase; n

(C2H4N+ bullet Water) + Water = (C2H4N+ bullet 2Water)

By formula: (C2H4N+ bullet H2O) + H2O = (C2H4N+ bullet 2H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar15.0 ± 1.7kcal/molCIDHonma, Sunderlin, et al., 1993gas phase; guided ion beam CID
Deltar17.5kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase
Quantity Value Units Method Reference Comment
Deltar25.1cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase

(C2H4N+ bullet 2Water) + Water = (C2H4N+ bullet 3Water)

By formula: (C2H4N+ bullet 2H2O) + H2O = (C2H4N+ bullet 3H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar15.6kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase
Quantity Value Units Method Reference Comment
Deltar24.8cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase

(C2H4N+ bullet 3Water) + Water = (C2H4N+ bullet 4Water)

By formula: (C2H4N+ bullet 3H2O) + H2O = (C2H4N+ bullet 4H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar11.2kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase
Quantity Value Units Method Reference Comment
Deltar21.8cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase

(C2H4N+ bullet 4Water) + Water = (C2H4N+ bullet 5Water)

By formula: (C2H4N+ bullet 4H2O) + H2O = (C2H4N+ bullet 5H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar10.4kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase
Quantity Value Units Method Reference Comment
Deltar23.4cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase

(C2H4N+ bullet 5Water) + Water = (C2H4N+ bullet 6Water)

By formula: (C2H4N+ bullet 5H2O) + H2O = (C2H4N+ bullet 6H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar10.1kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase
Quantity Value Units Method Reference Comment
Deltar25.5cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas 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.

Honma, Sunderlin, et al., 1993
Honma, K.; Sunderlin, L.S.; Armentrout, P.B., Guided-Ion Beam Studies of the Reactions of Protonated Water Clusters, H(H2O)n+ (n = 1-4), with Acetonitrile, J. Chem. Phys., 1993, 99, 3, 1623, https://doi.org/10.1063/1.465331 . [all data]

Allison, Cramer, et al., 1991
Allison, C.E.; Cramer, J.A.; Hop, C.E.C.A.; Szulejko, J.E.; McMahon, T.B., Strong Hydrogen Bonding in Gas - Phase Ions. A High - Pressure Mass Spectrometric Study of the Proton Affinity, Proton Transfer Kinetics, and Hydrogen - Bonding Capability of Iron Pentacarbonyl, J. Am. Chem. Soc., 1991, 113, 12, 4469, https://doi.org/10.1021/ja00012a014 . [all data]

Deakyne, Meot-Ner (Mautner), et al., 1986
Deakyne, C.A.; Meot-Ner (Mautner), M.; Campbell, C.L.; Hughes, M.G.; Murphy, S.P., Multicomponent Cluster Ions. 1. The Acetonitrile - Water System, J. Chem. Phys., 1986, 90, 4648. [all data]

Speller and Meot-Ner (Mautner), 1985
Speller, C.V.; Meot-Ner (Mautner), M., The Ionic Hydrogen Bond and Ion Solvation. 3. Bonds Involving Cyanides. Correlations with Proton Affinites, J. Phys. Chem., 1985, 81, 24, 5217, https://doi.org/10.1021/j100270a020 . [all data]

Meot-Ner (Mautner), 1978
Meot-Ner (Mautner), M., Solvation of the Proton by HCN and CH3CN. Condensation of HCN with Ions in the Gas Phase., J. Am. Chem. Soc., 1978, 100, 15, 4694, https://doi.org/10.1021/ja00483a012 . [all data]

Meot-Ner (Mautner), 1984
Meot-Ner (Mautner), M., The Ionic Hydrogen Bond and Ion Solvation. 2. Hydration of Onium Ions by 1 - 7 H2O Molecules. Relations Between Monomolecular, Specific and Bulk Hydration, J. Am. Chem. Soc., 1984, 106, 5, 1265, https://doi.org/10.1021/ja00317a016 . [all data]

El-Shall, Olafsdottir, et al., 1991
El-Shall, M.S.; Olafsdottir, S.; Meot-ner (Mautner), M.; Sieck, L.W., Energy effects on cluster ion distributions: Beam expansion and thermochemical studies on mixed clusters of methanol and acetonitrile, Chem. Phys. Lett., 1991, 185, 3-4, 193, https://doi.org/10.1016/S0009-2614(91)85046-Y . [all data]


Notes

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