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

Acetonitrile

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.


Ion clustering data

Go To: Top, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
RCD - Robert C. Dunbar
B - John E. Bartmess
M - 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

Silver ion (1+) + Acetonitrile = (Silver ion (1+) bullet Acetonitrile)

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

Quantity Value Units Method Reference Comment
Deltar38.7kcal/molCIDTShoieb, Aribi, et al., 2001RCD

(Silver ion (1+) bullet Acetonitrile) + Acetonitrile = (Silver ion (1+) bullet 2Acetonitrile)

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

Quantity Value Units Method Reference Comment
Deltar34.7kcal/molCIDTShoieb, Aribi, et al., 2001RCD

Bromine anion + Acetonitrile = (Bromine anion bullet Acetonitrile)

By formula: Br- + C2H3N = (Br- bullet C2H3N)

Quantity Value Units Method Reference Comment
Deltar14.3 ± 1.0kcal/molTDAsLi, Ross, et al., 1996gas phase; B
Deltar12.10 ± 0.40kcal/molN/AMarkovich, Perera, et al., 1996gas phase; B
Deltar12.90 ± 0.40kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Deltar12.9 ± 2.0kcal/molTDAsYamdagni and Kebarle, 1972gas phase; B,M
Deltar12.9kcal/molHPMSCaldwell, Masucci, et al., 1989gas phase; M
Quantity Value Units Method Reference Comment
Deltar12.2cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Deltar16.5cal/mol*KHPMSYamdagni and Kebarle, 1972gas phase; M
Quantity Value Units Method Reference Comment
Deltar8.70 ± 0.20kcal/molTDAsLi, Ross, et al., 1996gas phase; B
Deltar8.8 ± 2.0kcal/molIMRETanabe, Morgon, et al., 1996gas phase; Anchored to H2O..Br- of Hiraoka, Mizure, et al., 19882; B
Deltar9.20 ± 0.70kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B
Deltar8.0 ± 2.0kcal/molTDAsYamdagni and Kebarle, 1972gas phase; B

(Bromine anion bullet Acetonitrile) + Acetonitrile = (Bromine anion bullet 2Acetonitrile)

By formula: (Br- bullet C2H3N) + C2H3N = (Br- bullet 2C2H3N)

Quantity Value Units Method Reference Comment
Deltar11.70 ± 0.40kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Deltar11.50 ± 0.70kcal/molN/AMarkovich, Perera, et al., 1996gas phase; B
Deltar11.80kcal/molTDAsYamdagni and Kebarle, 1972gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar17.0cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Deltar20.4cal/mol*KHPMSYamdagni and Kebarle, 1972gas phase; M
Quantity Value Units Method Reference Comment
Deltar6.6 ± 1.3kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B
Deltar5.80kcal/molTDAsYamdagni and Kebarle, 1972gas phase; B

(Bromine anion bullet 2Acetonitrile) + Acetonitrile = (Bromine anion bullet 3Acetonitrile)

By formula: (Br- bullet 2C2H3N) + C2H3N = (Br- bullet 3C2H3N)

Quantity Value Units Method Reference Comment
Deltar9.20 ± 0.40kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Deltar10.40 ± 0.70kcal/molN/AMarkovich, Perera, et al., 1996gas phase; B
Deltar10.00kcal/molTDAsYamdagni and Kebarle, 1972gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar16.7cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Deltar21.7cal/mol*KHPMSYamdagni and Kebarle, 1972gas phase; M
Quantity Value Units Method Reference Comment
Deltar4.2 ± 1.3kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B
Deltar3.60kcal/molTDAsYamdagni and Kebarle, 1972gas phase; B

(Bromine anion bullet 3Acetonitrile) + Acetonitrile = (Bromine anion bullet 4Acetonitrile)

By formula: (Br- bullet 3C2H3N) + C2H3N = (Br- bullet 4C2H3N)

Quantity Value Units Method Reference Comment
Deltar8.70 ± 0.30kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Deltar8.50 ± 0.80kcal/molN/AMarkovich, Perera, et al., 1996gas phase; B
Deltar5.50kcal/molTDAsYamdagni and Kebarle, 1972gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar19.6cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Deltar10.9cal/mol*KHPMSYamdagni and Kebarle, 1972gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
Deltar2.8 ± 1.2kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B
Deltar2.20kcal/molTDAsYamdagni and Kebarle, 1972gas phase; B

(Bromine anion bullet 4Acetonitrile) + Acetonitrile = (Bromine anion bullet 5Acetonitrile)

By formula: (Br- bullet 4C2H3N) + C2H3N = (Br- bullet 5C2H3N)

Quantity Value Units Method Reference Comment
Deltar8.50 ± 0.30kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Deltar5.80 ± 0.90kcal/molN/AMarkovich, Perera, et al., 1996gas phase; B
Quantity Value Units Method Reference Comment
Deltar22.2cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar1.8 ± 1.3kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B

(Bromine anion bullet 5Acetonitrile) + Acetonitrile = (Bromine anion bullet 6Acetonitrile)

By formula: (Br- bullet 5C2H3N) + C2H3N = (Br- bullet 6C2H3N)

Quantity Value Units Method Reference Comment
Deltar8.00 ± 0.20kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Deltar5.5 ± 1.0kcal/molN/AMarkovich, Perera, et al., 1996gas phase; B
Quantity Value Units Method Reference Comment
Deltar22.5cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar1.20 ± 0.90kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B

(Bromine anion bullet 6Acetonitrile) + Acetonitrile = (Bromine anion bullet 7Acetonitrile)

By formula: (Br- bullet 6C2H3N) + C2H3N = (Br- bullet 7C2H3N)

Quantity Value Units Method Reference Comment
Deltar7.70 ± 0.30kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Deltar3.0 ± 1.1kcal/molN/AMarkovich, Perera, et al., 1996gas phase; B
Quantity Value Units Method Reference Comment
Deltar22.9cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar0.8 ± 1.3kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B

(Bromine anion bullet 7Acetonitrile) + Acetonitrile = (Bromine anion bullet 8Acetonitrile)

By formula: (Br- bullet 7C2H3N) + C2H3N = (Br- bullet 8C2H3N)

Quantity Value Units Method Reference Comment
Deltar3.7 ± 1.2kcal/molN/AMarkovich, Perera, et al., 1996gas phase; B

(Bromine anion bullet 8Acetonitrile) + Acetonitrile = (Bromine anion bullet 9Acetonitrile)

By formula: (Br- bullet 8C2H3N) + C2H3N = (Br- bullet 9C2H3N)

Quantity Value Units Method Reference Comment
Deltar2.8 ± 1.4kcal/molN/AMarkovich, Perera, et al., 1996gas phase; B

(Bromine anion bullet 9Acetonitrile) + Acetonitrile = (Bromine anion bullet 10Acetonitrile)

By formula: (Br- bullet 9C2H3N) + C2H3N = (Br- bullet 10C2H3N)

Quantity Value Units Method Reference Comment
Deltar3.5 ± 1.5kcal/molN/AMarkovich, Perera, et al., 1996gas phase; B

(Bromine anion bullet 10Acetonitrile) + Acetonitrile = (Bromine anion bullet 11Acetonitrile)

By formula: (Br- bullet 10C2H3N) + C2H3N = (Br- bullet 11C2H3N)

Quantity Value Units Method Reference Comment
Deltar1.2 ± 1.6kcal/molN/AMarkovich, Perera, et al., 1996gas phase; B

(Bromine anion bullet 11Acetonitrile) + Acetonitrile = (Bromine anion bullet 12Acetonitrile)

By formula: (Br- bullet 11C2H3N) + C2H3N = (Br- bullet 12C2H3N)

Quantity Value Units Method Reference Comment
Deltar1.2 ± 1.7kcal/molN/AMarkovich, Perera, et al., 1996gas phase; B

(Bromine anion bullet 12Acetonitrile) + Acetonitrile = (Bromine anion bullet 13Acetonitrile)

By formula: (Br- bullet 12C2H3N) + C2H3N = (Br- bullet 13C2H3N)

Quantity Value Units Method Reference Comment
Deltar0.5 ± 1.8kcal/molN/AMarkovich, Perera, et al., 1996gas phase; B

(Bromine anion bullet 13Acetonitrile) + Acetonitrile = (Bromine anion bullet 14Acetonitrile)

By formula: (Br- bullet 13C2H3N) + C2H3N = (Br- bullet 14C2H3N)

Quantity Value Units Method Reference Comment
Deltar0.7 ± 1.9kcal/molN/AMarkovich, Perera, et al., 1996gas phase; B

CH6N+ + Acetonitrile = (CH6N+ bullet Acetonitrile)

By formula: CH6N+ + C2H3N = (CH6N+ bullet C2H3N)

Quantity Value Units Method Reference Comment
Deltar26.2kcal/molPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase; M
Quantity Value Units Method Reference Comment
Deltar25.7cal/mol*KPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase; M

(CH6N+ bullet Acetonitrile) + Acetonitrile = (CH6N+ bullet 2Acetonitrile)

By formula: (CH6N+ bullet C2H3N) + C2H3N = (CH6N+ bullet 2C2H3N)

Quantity Value Units Method Reference Comment
Deltar18.6kcal/molPHPMSMeot-Ner (Mautner) and Sieck, 1985gas phase; M
Quantity Value Units Method Reference Comment
Deltar23.6cal/mol*KPHPMSMeot-Ner (Mautner) and Sieck, 1985gas phase; M

(CH6N+ bullet 2Acetonitrile) + Acetonitrile = (CH6N+ bullet 3Acetonitrile)

By formula: (CH6N+ bullet 2C2H3N) + C2H3N = (CH6N+ bullet 3C2H3N)

Quantity Value Units Method Reference Comment
Deltar13.4kcal/molPHPMSMeot-Ner (Mautner) and Sieck, 1985gas phase; M
Quantity Value Units Method Reference Comment
Deltar21.0cal/mol*KPHPMSMeot-Ner (Mautner) and Sieck, 1985gas phase; M

CN- + Acetonitrile = (CN- bullet Acetonitrile)

By formula: CN- + C2H3N = (CN- bullet C2H3N)

Quantity Value Units Method Reference Comment
Deltar13.8 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B,M
Deltar16.4 ± 3.5kcal/molIMRELarson and McMahon, 1987gas phase; B,M
Deltar15.70kcal/molTDAsHiraoka, Mizure, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar21.7cal/mol*KPHPMSHiraoka, Mizure, et al., 1988gas phase; M
Deltar14.2cal/mol*KPHPMSMeot-ner, 1988gas phase; M
Deltar24.3cal/mol*KN/ALarson and McMahon, 1987gas phase; switching reaction,Thermochemical ladder(CN-)H2O, Entropy change calculated or estimated; Payzant, Yamdagni, et al., 1971; M
Quantity Value Units Method Reference Comment
Deltar9.5 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B
Deltar9.1 ± 2.3kcal/molIMRELarson and McMahon, 1987gas phase; B,M
Deltar9.20kcal/molTDAsHiraoka, Mizure, et al., 1988gas phase; B

C2H2N- + Acetonitrile = (C2H2N- bullet Acetonitrile)

By formula: C2H2N- + C2H3N = (C2H2N- bullet C2H3N)

Quantity Value Units Method Reference Comment
Deltar12.8 ± 1.0kcal/molTDAsMeot-ner, 1988, 2gas phase; B,M
Deltar15.70kcal/molTDAsHiraoka, Mizure, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar22.8cal/mol*KPHPMSHiraoka, Mizure, et al., 1988gas phase; M
Deltar13.4cal/mol*KPHPMSMeot-ner, 1988, 2gas phase; M
Quantity Value Units Method Reference Comment
Deltar8.8 ± 1.0kcal/molTDAsMeot-ner, 1988, 2gas phase; B
Deltar8.90kcal/molTDAsHiraoka, Mizure, et al., 1988gas phase; B

MeCO2 anion + Acetonitrile = (MeCO2 anion bullet Acetonitrile)

By formula: C2H3O2- + C2H3N = (C2H3O2- bullet C2H3N)

Quantity Value Units Method Reference Comment
Deltar14.8 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar18.0cal/mol*KPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar9.4 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B

(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; M
Quantity Value Units Method Reference Comment
Deltar24.5cal/mol*KPHPMSEl-Shall, Olafsdottir, et al., 1991gas phase; M

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

(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; M
Quantity Value Units Method Reference Comment
Deltar12.4cal/mol*KPHPMSEl-Shall, Olafsdottir, et al., 1991gas phase; M

(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; M
Quantity Value Units Method Reference Comment
Deltar21.6cal/mol*KPHPMSEl-Shall, Olafsdottir, et al., 1991gas phase; M

(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; M
Quantity Value Units Method Reference Comment
Deltar19.cal/mol*KPHPMSMeot-Ner (Mautner), 1978gas phase; M

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

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

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; M

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

C2H6NO+ + Acetonitrile = (C2H6NO+ bullet Acetonitrile)

By formula: C2H6NO+ + C2H3N = (C2H6NO+ bullet C2H3N)

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
16.2320.ICRBromilow, Abboud, et al., 1980gas phase; switching reaction,n((CH3)2OH+)(CH3)2O; Grimsrud and Kebarle, 1973; M

C2H7O+ + Acetonitrile = (C2H7O+ bullet Acetonitrile)

By formula: C2H7O+ + C2H3N = (C2H7O+ bullet C2H3N)

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
23.0320.ICRBromilow, Abboud, et al., 1980gas phase; switching reaction,n((CH3)2OH+)(CH3)2O,; Grimsrud and Kebarle, 1973; M

C3H5O+ + Acetonitrile = (C3H5O+ bullet Acetonitrile)

By formula: C3H5O+ + C2H3N = (C3H5O+ bullet C2H3N)

Quantity Value Units Method Reference Comment
Deltar15.3kcal/molPHPMSMeot-ner, 1988, 2gas phase; M
Quantity Value Units Method Reference Comment
Deltar18.9cal/mol*KPHPMSMeot-ner, 1988, 2gas phase; M

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
9.4295.FAMackay, Rakshit, et al., 1982gas phase; M

C3H5O- + Acetonitrile = (C3H5O- bullet Acetonitrile)

By formula: C3H5O- + C2H3N = (C3H5O- bullet C2H3N)

Quantity Value Units Method Reference Comment
Deltar15.3 ± 1.0kcal/molTDAsMeot-ner, 1988, 2gas phase; B
Quantity Value Units Method Reference Comment
Deltar9.6 ± 2.0kcal/molTDAsMeot-ner, 1988, 2gas phase; B

C3H7O+ + Acetonitrile = (C3H7O+ bullet Acetonitrile)

By formula: C3H7O+ + C2H3N = (C3H7O+ bullet C2H3N)

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
20.8320.ICRBromilow, Abboud, et al., 1980gas phase; switching reaction,n((CH3)2OH+)(CH3)2O; Grimsrud and Kebarle, 1973; M

C3H7O2+ + Acetonitrile = (C3H7O2+ bullet Acetonitrile)

By formula: C3H7O2+ + C2H3N = (C3H7O2+ bullet C2H3N)

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
21.5320.ICRBromilow, Abboud, et al., 1980gas phase; switching reaction,n((CH3)2OH+)(CH3)2O; Grimsrud and Kebarle, 1973; M

C3H7O2+ + Acetonitrile = (C3H7O2+ bullet Acetonitrile)

By formula: C3H7O2+ + C2H3N = (C3H7O2+ bullet C2H3N)

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
20.1320.ICRBromilow, Abboud, et al., 1980gas phase; n,switching reaction((CH3)2OH+)(CH3)2O; Grimsrud and Kebarle, 1973; M

C3H9O+ + Acetonitrile = (C3H9O+ bullet Acetonitrile)

By formula: C3H9O+ + C2H3N = (C3H9O+ bullet C2H3N)

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
23.6320.ICRBromilow, Abboud, et al., 1980gas phase; switching reaction,n((CH3)2OH+)(CH3)2O; Grimsrud and Kebarle, 1973; M

C3H9Sn+ + Acetonitrile = (C3H9Sn+ bullet Acetonitrile)

By formula: C3H9Sn+ + C2H3N = (C3H9Sn+ bullet C2H3N)

Quantity Value Units Method Reference Comment
Deltar37.5kcal/molPHPMSStone and Splinter, 1984gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar31.4cal/mol*KN/AStone and Splinter, 1984gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated; M

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
21.0525.PHPMSStone and Splinter, 1984gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated; M

C4H2O3- + Acetonitrile = (C4H2O3- bullet Acetonitrile)

By formula: C4H2O3- + C2H3N = (C4H2O3- bullet C2H3N)

Quantity Value Units Method Reference Comment
Deltar5.5 ± 1.6kcal/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

pyrrolide anion + Acetonitrile = (pyrrolide anion bullet Acetonitrile)

By formula: C4H4N- + C2H3N = (C4H4N- bullet C2H3N)

Quantity Value Units Method Reference Comment
Deltar15.8 ± 1.0kcal/molTDAsMeot-ner, 1988, 2gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar23.4cal/mol*KPHPMSMeot-ner, 1988, 2gas phase; M
Quantity Value Units Method Reference Comment
Deltar8.8 ± 1.0kcal/molTDAsMeot-ner, 1988, 2gas phase; B

C4H6N+ + Acetonitrile = (C4H6N+ bullet Acetonitrile)

By formula: C4H6N+ + C2H3N = (C4H6N+ bullet C2H3N)

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
20.8320.ICRBromilow, Abboud, et al., 1980gas phase; switching reaction,n((CH3)2OH+)(CH3)2O; Grimsrud and Kebarle, 1973; M

C4H7O+ + Acetonitrile = (C4H7O+ bullet Acetonitrile)

By formula: C4H7O+ + C2H3N = (C4H7O+ bullet C2H3N)

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
22.1320.ICRBromilow, Abboud, et al., 1980gas phase; switching reaction,n((CH3)2OH+)(CH3)2O; Grimsrud and Kebarle, 1973; M

C4H9O+ + Acetonitrile = (C4H9O+ bullet Acetonitrile)

By formula: C4H9O+ + C2H3N = (C4H9O+ bullet C2H3N)

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
20.7320.ICRBromilow, Abboud, et al., 1980gas phase; switching reaction,n((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973; M

C4H9O2+ + Acetonitrile = (C4H9O2+ bullet Acetonitrile)

By formula: C4H9O2+ + C2H3N = (C4H9O2+ bullet C2H3N)

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
22.9320.ICRBromilow, Abboud, et al., 1980gas phase; switching reaction,n((CH3)2OH+)(CH3)2O; Grimsrud and Kebarle, 1973; M

C4H9O2+ + Acetonitrile = (C4H9O2+ bullet Acetonitrile)

By formula: C4H9O2+ + C2H3N = (C4H9O2+ bullet C2H3N)

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
18.9320.ICRBromilow, Abboud, et al., 1980gas phase; switching reaction((CH3)2O)H+)(CH3)2O; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M

C4H11O+ + Acetonitrile = (C4H11O+ bullet Acetonitrile)

By formula: C4H11O+ + C2H3N = (C4H11O+ bullet C2H3N)

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
19.6320.ICRBromilow, Abboud, et al., 1980gas phase; switching reaction(Me2O)2H+; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M

C5HFeO5+ + Acetonitrile = (C5HFeO5+ bullet Acetonitrile)

By formula: C5HFeO5+ + C2H3N = (C5HFeO5+ bullet C2H3N)

Quantity Value Units Method Reference Comment
Deltar16.8kcal/molPHPMSAllison, Cramer, et al., 1991gas phase; M
Quantity Value Units Method Reference Comment
Deltar26.8cal/mol*KPHPMSAllison, Cramer, et al., 1991gas phase; M

cyclopentadienide anion + Acetonitrile = (cyclopentadienide anion bullet Acetonitrile)

By formula: C5H5- + C2H3N = (C5H5- bullet C2H3N)

Quantity Value Units Method Reference Comment
Deltar15.5 ± 1.0kcal/molTDAsMeot-ner, 1988, 2gas phase; B
Quantity Value Units Method Reference Comment
Deltar8.7 ± 1.0kcal/molTDAsMeot-ner, 1988, 2gas phase; B

C5H9O+ + Acetonitrile = (C5H9O+ bullet Acetonitrile)

By formula: C5H9O+ + C2H3N = (C5H9O+ bullet C2H3N)

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
20.1320.ICRBromilow, Abboud, et al., 1980gas phase; switching reaction,n((CH3)2OH+)(CH3)2O; Grimsrud and Kebarle, 1973; M

C5H9O+ + Acetonitrile = (C5H9O+ bullet Acetonitrile)

By formula: C5H9O+ + C2H3N = (C5H9O+ bullet C2H3N)

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
17.5320.ICRBromilow, Abboud, et al., 1980gas phase; switching reaction,n((CH3)2OH+)(CH3)2O; Grimsrud and Kebarle, 1973; M

C5H9O2+ + Acetonitrile = (C5H9O2+ bullet Acetonitrile)

By formula: C5H9O2+ + C2H3N = (C5H9O2+ bullet C2H3N)

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
17.7320.ICRBromilow, Abboud, et al., 1980gas phase; switching reaction,n((CH3)2OH+)(CH3)2O; Grimsrud and Kebarle, 1973; M

C5H11O+ + Acetonitrile = (C5H11O+ bullet Acetonitrile)

By formula: C5H11O+ + C2H3N = (C5H11O+ bullet C2H3N)

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
20.3320.ICRBromilow, Abboud, et al., 1980gas phase; switching reaction,n((CH3)2OH+)(CH3)2O; Grimsrud and Kebarle, 1973; M

C5H13O+ + Acetonitrile = (C5H13O+ bullet Acetonitrile)

By formula: C5H13O+ + C2H3N = (C5H13O+ bullet C2H3N)

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
18.4320.ICRBromilow, Abboud, et al., 1980gas phase; switching reaction,n((CH3)2OH+)(CH3)2O; Grimsrud and Kebarle, 1973; M

C6F4O2- + Acetonitrile = (C6F4O2- bullet Acetonitrile)

By formula: C6F4O2- + C2H3N = (C6F4O2- bullet C2H3N)

Quantity Value Units Method Reference Comment
Deltar3.4 ± 1.6kcal/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
3.4343.PHPMSChowdhury, 1987gas phase; M

C6H4ClNO2- + Acetonitrile = (C6H4ClNO2- bullet Acetonitrile)

By formula: C6H4ClNO2- + C2H3N = (C6H4ClNO2- bullet C2H3N)

Quantity Value Units Method Reference Comment
Deltar5.7 ± 1.6kcal/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
5.7343.PHPMSChowdhury, 1987gas phase; M

C6H4ClNO2- + Acetonitrile = (C6H4ClNO2- bullet Acetonitrile)

By formula: C6H4ClNO2- + C2H3N = (C6H4ClNO2- bullet C2H3N)

Quantity Value Units Method Reference Comment
Deltar6.1 ± 1.6kcal/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
6.1343.PHPMSChowdhury, 1987gas phase; M

C6H4ClNO2- + Acetonitrile = (C6H4ClNO2- bullet Acetonitrile)

By formula: C6H4ClNO2- + C2H3N = (C6H4ClNO2- bullet C2H3N)

Quantity Value Units Method Reference Comment
Deltar5.9 ± 1.6kcal/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
5.9343.PHPMSChowdhury, 1987gas phase; M

C6H4FNO2- + Acetonitrile = (C6H4FNO2- bullet Acetonitrile)

By formula: C6H4FNO2- + C2H3N = (C6H4FNO2- bullet C2H3N)

Quantity Value Units Method Reference Comment
Deltar6.1 ± 1.6kcal/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
6.1343.PHPMSChowdhury, 1987gas phase; M

C6H4FNO2- + Acetonitrile = (C6H4FNO2- bullet Acetonitrile)

By formula: C6H4FNO2- + C2H3N = (C6H4FNO2- bullet C2H3N)

Quantity Value Units Method Reference Comment
Deltar6.3 ± 1.6kcal/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
6.3343.PHPMSChowdhury, 1987gas phase; M

C6H4FNO2- + Acetonitrile = (C6H4FNO2- bullet Acetonitrile)

By formula: C6H4FNO2- + C2H3N = (C6H4FNO2- bullet C2H3N)

Quantity Value Units Method Reference Comment
Deltar6.0 ± 1.6kcal/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
6.0343.PHPMSChowdhury, 1987gas phase; M

C6H4NO3- + Acetonitrile = (C6H4NO3- bullet Acetonitrile)

By formula: C6H4NO3- + C2H3N = (C6H4NO3- bullet C2H3N)

Quantity Value Units Method Reference Comment
Deltar5.7 ± 1.6kcal/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

C6H4NO3- + Acetonitrile = (C6H4NO3- bullet Acetonitrile)

By formula: C6H4NO3- + C2H3N = (C6H4NO3- bullet C2H3N)

Quantity Value Units Method Reference Comment
Deltar6.4 ± 1.6kcal/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

C6H4N2O4- + Acetonitrile = (C6H4N2O4- bullet Acetonitrile)

By formula: C6H4N2O4- + C2H3N = (C6H4N2O4- bullet C2H3N)

Quantity Value Units Method Reference Comment
Deltar3.2 ± 1.6kcal/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
3.2343.PHPMSChowdhury, 1987gas phase; M

C6H4N2O4- + Acetonitrile = (C6H4N2O4- bullet Acetonitrile)

By formula: C6H4N2O4- + C2H3N = (C6H4N2O4- bullet C2H3N)

Quantity Value Units Method Reference Comment
Deltar4.8 ± 1.6kcal/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
4.8343.PHPMSChowdhury, 1987gas phase; M

C6H4N2O4- + Acetonitrile = (C6H4N2O4- bullet Acetonitrile)

By formula: C6H4N2O4- + C2H3N = (C6H4N2O4- bullet C2H3N)

Quantity Value Units Method Reference Comment
Deltar4.3 ± 1.6kcal/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
4.3343.PHPMSChowdhury, 1987gas phase; M

p-Benzoquinone anion + Acetonitrile = (p-Benzoquinone anion bullet Acetonitrile)

By formula: C6H4O2- + C2H3N = (C6H4O2- bullet C2H3N)

Quantity Value Units Method Reference Comment
Deltar4.8 ± 1.6kcal/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
4.8343.PHPMSChowdhury, 1987gas phase; M

C6H5NO2- + Acetonitrile = (C6H5NO2- bullet Acetonitrile)

By formula: C6H5NO2- + C2H3N = (C6H5NO2- bullet C2H3N)

Quantity Value Units Method Reference Comment
Deltar6.6 ± 1.6kcal/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
6.6343.PHPMSChowdhury, 1987gas phase; M

C6H7N+ + Acetonitrile = (C6H7N+ bullet Acetonitrile)

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

Quantity Value Units Method Reference Comment
Deltar17.3kcal/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; M
Quantity Value Units Method Reference Comment
Deltar17.8cal/mol*KPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; M

C6H7O+ + Acetonitrile = (C6H7O+ bullet Acetonitrile)

By formula: C6H7O+ + C2H3N = (C6H7O+ bullet C2H3N)

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
18.7320.ICRBromilow, Abboud, et al., 1980gas phase; switching reaction,n((CH3)2OH+)(CH3)2O; Grimsrud and Kebarle, 1973; M

C6H11O+ + Acetonitrile = (C6H11O+ bullet Acetonitrile)

By formula: C6H11O+ + C2H3N = (C6H11O+ bullet C2H3N)

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
19.4320.ICRBromilow, Abboud, et al., 1980gas phase; switching reaction,n((CH3)2OH+)(CH3)2O; Grimsrud and Kebarle, 1973; M

C6H13O+ + Acetonitrile = (C6H13O+ bullet Acetonitrile)

By formula: C6H13O+ + C2H3N = (C6H13O+ bullet C2H3N)

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
18.2320.ICRBromilow, Abboud, et al., 1980gas phase; switching reaction,n((CH3)2OH+)(CH3)2O; Grimsrud and Kebarle, 1973; M

C6H13O+ + Acetonitrile = (C6H13O+ bullet Acetonitrile)

By formula: C6H13O+ + C2H3N = (C6H13O+ bullet C2H3N)

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
18.1320.ICRBromilow, Abboud, et al., 1980gas phase; switching reaction,n((CH3)2OH+)(CH3)2O; Grimsrud and Kebarle, 1973; M

C6H15O+ + Acetonitrile = (C6H15O+ bullet Acetonitrile)

By formula: C6H15O+ + C2H3N = (C6H15O+ bullet C2H3N)

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
18.7320.ICRBromilow, Abboud, et al., 1980gas phase; switching reaction,n((CH3)2OH+)(CH3)2O; Grimsrud and Kebarle, 1973; M

C6H15O+ + Acetonitrile = (C6H15O+ bullet Acetonitrile)

By formula: C6H15O+ + C2H3N = (C6H15O+ bullet C2H3N)

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
17.9320.ICRBromilow, Abboud, et al., 1980gas phase; switching reaction,n((CH3)2OH+)(CH3)2O; Grimsrud and Kebarle, 1973; M

C7H4F3NO2- + Acetonitrile = (C7H4F3NO2- bullet Acetonitrile)

By formula: C7H4F3NO2- + C2H3N = (C7H4F3NO2- bullet C2H3N)

Quantity Value Units Method Reference Comment
Deltar13.3 ± 2.0kcal/molN/AChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B,M
Quantity Value Units Method Reference Comment
Deltar23.4cal/mol*KPHPMSChowdhury, 1987gas phase; M
Quantity Value Units Method Reference Comment
Deltar5.4 ± 2.0kcal/molTDAsChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

C7H4N2O2- + Acetonitrile = (C7H4N2O2- bullet Acetonitrile)

By formula: C7H4N2O2- + C2H3N = (C7H4N2O2- bullet C2H3N)

Quantity Value Units Method Reference Comment
Deltar5.1 ± 1.6kcal/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
5.1343.PHPMSChowdhury, 1987gas phase; M

C7H4N2O2- + Acetonitrile = (C7H4N2O2- bullet Acetonitrile)

By formula: C7H4N2O2- + C2H3N = (C7H4N2O2- bullet C2H3N)

Quantity Value Units Method Reference Comment
Deltar5.3 ± 1.6kcal/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
5.3343.PHPMSChowdhury, 1987gas phase; M

C7H4N2O2- + Acetonitrile = (C7H4N2O2- bullet Acetonitrile)

By formula: C7H4N2O2- + C2H3N = (C7H4N2O2- bullet C2H3N)

Quantity Value Units Method Reference Comment
Deltar13.9 ± 2.0kcal/molN/AChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B,M
Quantity Value Units Method Reference Comment
Deltar28.6cal/mol*KPHPMSChowdhury, 1987gas phase; M
Quantity Value Units Method Reference Comment
Deltar4.1 ± 2.0kcal/molTDAsChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

C7H7NO2- + Acetonitrile = (C7H7NO2- bullet Acetonitrile)

By formula: C7H7NO2- + C2H3N = (C7H7NO2- bullet C2H3N)

Quantity Value Units Method Reference Comment
Deltar6.7 ± 1.6kcal/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
6.7343.PHPMSChowdhury, 1987gas phase; M

C7H7NO3- + Acetonitrile = (C7H7NO3- bullet Acetonitrile)

By formula: C7H7NO3- + C2H3N = (C7H7NO3- bullet C2H3N)

Quantity Value Units Method Reference Comment
Deltar13.8 ± 2.0kcal/molN/AChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B,M
Quantity Value Units Method Reference Comment
Deltar22.7cal/mol*KPHPMSChowdhury, 1987gas phase; M
Quantity Value Units Method Reference Comment
Deltar6.6 ± 2.0kcal/molTDAsChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

C7H11O+ + Acetonitrile = (C7H11O+ bullet Acetonitrile)

By formula: C7H11O+ + C2H3N = (C7H11O+ bullet C2H3N)

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
14.3320.ICRBromilow, Abboud, et al., 1980gas phase; switching reaction,n((CH3)2OH+)(CH3)2O; Grimsrud and Kebarle, 1973; M

C7H15O+ + Acetonitrile = (C7H15O+ bullet Acetonitrile)

By formula: C7H15O+ + C2H3N = (C7H15O+ bullet C2H3N)

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
16.7320.ICRBromilow, Abboud, et al., 1980gas phase; switching reaction,n((CH3)2OH+)(CH3)2O; Grimsrud and Kebarle, 1973; M

C8H9O2+ + Acetonitrile = (C8H9O2+ bullet Acetonitrile)

By formula: C8H9O2+ + C2H3N = (C8H9O2+ bullet C2H3N)

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
16.5320.ICRBromilow, Abboud, et al., 1980gas phase; switching reaction,n((CH3)2OH+)(CH3)2O; Grimsrud and Kebarle, 1973; M

C9H11O+ + Acetonitrile = (C9H11O+ bullet Acetonitrile)

By formula: C9H11O+ + C2H3N = (C9H11O+ bullet C2H3N)

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
15.5320.ICRBromilow, Abboud, et al., 1980gas phase; switching reaction,n((CH3)2OH+)(CH3)2O; Grimsrud and Kebarle, 1973; M

C10H4Cl2O2- + Acetonitrile = (C10H4Cl2O2- bullet Acetonitrile)

By formula: C10H4Cl2O2- + C2H3N = (C10H4Cl2O2- bullet C2H3N)

Quantity Value Units Method Reference Comment
Deltar<1.5 ± 1.6kcal/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
1.5343.PHPMSChowdhury, 1987gas phase; DG<; M

1,4-Naphthalenedione anion + Acetonitrile = (1,4-Naphthalenedione anion bullet Acetonitrile)

By formula: C10H6O2- + C2H3N = (C10H6O2- bullet C2H3N)

Quantity Value Units Method Reference Comment
Deltar4.2 ± 1.6kcal/molIMREChowdhury, Grimsrud, et al., 1987gas phase; Free energy affinity at 70°C.; B

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
4.2343.PHPMSChowdhury, 1987gas phase; M

C10H10Fe+ + Acetonitrile = (C10H10Fe+ bullet Acetonitrile)

By formula: C10H10Fe+ + C2H3N = (C10H10Fe+ bullet C2H3N)

Quantity Value Units Method Reference Comment
Deltar11.4kcal/molPHPMSMeot-Ner (Mautner), 1989gas phase; M
Quantity Value Units Method Reference Comment
Deltar18.9cal/mol*KPHPMSMeot-Ner (Mautner), 1989gas phase; M

(C10H10Fe+ bullet Acetonitrile) + Acetonitrile = (C10H10Fe+ bullet 2Acetonitrile)

By formula: (C10H10Fe+ bullet C2H3N) + C2H3N = (C10H10Fe+ bullet 2C2H3N)

Quantity Value Units Method Reference Comment
Deltar9.1kcal/molPHPMSMeot-Ner (Mautner), 1989gas phase; M
Quantity Value Units Method Reference Comment
Deltar16.0cal/mol*KPHPMSMeot-Ner (Mautner), 1989gas phase; M

C10H11Fe+ + Acetonitrile = (C10H11Fe+ bullet Acetonitrile)

By formula: C10H11Fe+ + C2H3N = (C10H11Fe+ bullet C2H3N)

Quantity Value Units Method Reference Comment
Deltar12.9kcal/molPHPMSMeot-Ner (Mautner), 1989gas phase; M
Quantity Value Units Method Reference Comment
Deltar23.4cal/mol*KPHPMSMeot-Ner (Mautner), 1989gas phase; M

C11H10+ + Acetonitrile = (C11H10+ bullet Acetonitrile)

By formula: C11H10+ + C2H3N = (C11H10+ bullet C2H3N)

Quantity Value Units Method Reference Comment
Deltar11.3kcal/molPHPMSEl-Shall and Meot-Ner (Mautner), 1987gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar22.cal/mol*KN/AEl-Shall and Meot-Ner (Mautner), 1987gas phase; Entropy change calculated or estimated; M

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
4.6303.PHPMSEl-Shall and Meot-Ner (Mautner), 1987gas phase; Entropy change calculated or estimated; M

Chlorine anion + Acetonitrile = (Chlorine anion bullet Acetonitrile)

By formula: Cl- + C2H3N = (Cl- bullet C2H3N)

Quantity Value Units Method Reference Comment
Deltar15. ± 2.kcal/molAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Deltar15.7cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Deltar15.7cal/mol*KPHPMSYamabe, Furumiya, et al., 1986gas phase; M
Deltar14.3cal/mol*KPHPMSSieck, 1985gas phase; M
Deltar14.3cal/mol*KPHPMSYamdagni and Kebarle, 1972gas phase; M
Deltar21.4cal/mol*KN/ALarson and McMahon, 1984gas phase; switching reaction(Cl-)CF3H, Entropy change calculated or estimated; Larson and McMahon, 1984, 2; M
Quantity Value Units Method Reference Comment
Deltar10.20 ± 0.20kcal/molTDAsLi, Ross, et al., 1996gas phase; B
Deltar9.2 ± 2.0kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B
Deltar8.9 ± 2.6kcal/molTDAsYamabe, Furumiya, et al., 1986gas phase; B
Deltar10.10 ± 0.20kcal/molTDAsSieck, 1985gas phase; B
Deltar9.2 ± 2.0kcal/molTDAsYamdagni and Kebarle, 1972gas phase; B

(Chlorine anion bullet Acetonitrile) + Acetonitrile = (Chlorine anion bullet 2Acetonitrile)

By formula: (Cl- bullet C2H3N) + C2H3N = (Cl- bullet 2C2H3N)

Quantity Value Units Method Reference Comment
Deltar12.50 ± 0.40kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Deltar12.00 ± 0.70kcal/molN/AMarkovich, Perera, et al., 1996gas phase; B
Deltar12.20kcal/molTDAsYamdagni and Kebarle, 1972gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar16.3cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Deltar18.9cal/mol*KPHPMSYamdagni and Kebarle, 1972gas phase; M
Quantity Value Units Method Reference Comment
Deltar7.6 ± 1.2kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B
Deltar6.60kcal/molTDAsYamdagni and Kebarle, 1972gas phase; B

(Chlorine anion bullet 2Acetonitrile) + Acetonitrile = (Chlorine anion bullet 3Acetonitrile)

By formula: (Cl- bullet 2C2H3N) + C2H3N = (Cl- bullet 3C2H3N)

Quantity Value Units Method Reference Comment
Deltar11.20 ± 0.40kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Deltar12.00 ± 0.70kcal/molN/AMarkovich, Perera, et al., 1996gas phase; B
Deltar10.60kcal/molTDAsYamdagni and Kebarle, 1972gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar19.6cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Deltar20.1cal/mol*KPHPMSYamdagni and Kebarle, 1972gas phase; M
Quantity Value Units Method Reference Comment
Deltar5.3 ± 1.3kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B
Deltar4.60kcal/molTDAsYamdagni and Kebarle, 1972gas phase; B

(Chlorine anion bullet 3Acetonitrile) + Acetonitrile = (Chlorine anion bullet 4Acetonitrile)

By formula: (Cl- bullet 3C2H3N) + C2H3N = (Cl- bullet 4C2H3N)

Quantity Value Units Method Reference Comment
Deltar10.90 ± 0.30kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Deltar9.00 ± 0.80kcal/molN/AMarkovich, Perera, et al., 1996gas phase; B
Deltar6.20kcal/molTDAsYamdagni and Kebarle, 1972gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar26.6cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Deltar10.8cal/mol*KPHPMSYamdagni and Kebarle, 1972gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
Deltar2.9 ± 1.2kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B
Deltar3.00kcal/molTDAsYamdagni and Kebarle, 1972gas phase; B

(Chlorine anion bullet 4Acetonitrile) + Acetonitrile = (Chlorine anion bullet 5Acetonitrile)

By formula: (Cl- bullet 4C2H3N) + C2H3N = (Cl- bullet 5C2H3N)

Quantity Value Units Method Reference Comment
Deltar9.80 ± 0.20kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Deltar5.80 ± 0.90kcal/molN/AMarkovich, Perera, et al., 1996gas phase; B
Quantity Value Units Method Reference Comment
Deltar27.1cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar1.70 ± 0.80kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B

(Chlorine anion bullet 5Acetonitrile) + Acetonitrile = (Chlorine anion bullet 6Acetonitrile)

By formula: (Cl- bullet 5C2H3N) + C2H3N = (Cl- bullet 6C2H3N)

Quantity Value Units Method Reference Comment
Deltar9.50 ± 0.20kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Deltar5.8 ± 1.0kcal/molN/AMarkovich, Perera, et al., 1996gas phase; B
Quantity Value Units Method Reference Comment
Deltar29.1cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar0.80 ± 0.80kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B

(Chlorine anion bullet 6Acetonitrile) + Acetonitrile = (Chlorine anion bullet 7Acetonitrile)

By formula: (Cl- bullet 6C2H3N) + C2H3N = (Cl- bullet 7C2H3N)

Quantity Value Units Method Reference Comment
Deltar9.40 ± 0.30kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Deltar3.9 ± 1.1kcal/molN/AMarkovich, Perera, et al., 1996gas phase; B
Quantity Value Units Method Reference Comment
Deltar30.7cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar0.2 ± 1.4kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B

(Chlorine anion bullet 7Acetonitrile) + Acetonitrile = (Chlorine anion bullet 8Acetonitrile)

By formula: (Cl- bullet 7C2H3N) + C2H3N = (Cl- bullet 8C2H3N)

Quantity Value Units Method Reference Comment
Deltar9.20kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; Entropy estimated; B,M
Deltar2.8 ± 1.2kcal/molN/AMarkovich, Perera, et al., 1996gas phase; B
Quantity Value Units Method Reference Comment
Deltar32.cal/mol*KN/AHiraoka, Mizuse, et al., 1988gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar-0.40kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; Entropy estimated; B

(Chlorine anion bullet 8Acetonitrile) + Acetonitrile = (Chlorine anion bullet 9Acetonitrile)

By formula: (Cl- bullet 8C2H3N) + C2H3N = (Cl- bullet 9C2H3N)

Quantity Value Units Method Reference Comment
Deltar4.4 ± 1.4kcal/molN/AMarkovich, Perera, et al., 1996gas phase; B

(Chlorine anion bullet 9Acetonitrile) + Acetonitrile = (Chlorine anion bullet 10Acetonitrile)

By formula: (Cl- bullet 9C2H3N) + C2H3N = (Cl- bullet 10C2H3N)

Quantity Value Units Method Reference Comment
Deltar2.1 ± 1.5kcal/molN/AMarkovich, Perera, et al., 1996gas phase; B

(Chlorine anion bullet 10Acetonitrile) + Acetonitrile = (Chlorine anion bullet 11Acetonitrile)

By formula: (Cl- bullet 10C2H3N) + C2H3N = (Cl- bullet 11C2H3N)

Quantity Value Units Method Reference Comment
Deltar1.8 ± 1.6kcal/molN/AMarkovich, Perera, et al., 1996gas phase; B

(Chlorine anion bullet 11Acetonitrile) + Acetonitrile = (Chlorine anion bullet 12Acetonitrile)

By formula: (Cl- bullet 11C2H3N) + C2H3N = (Cl- bullet 12C2H3N)

Quantity Value Units Method Reference Comment
Deltar-0.5 ± 1.7kcal/molN/AMarkovich, Perera, et al., 1996gas phase; B

(Chlorine anion bullet 12Acetonitrile) + Acetonitrile = (Chlorine anion bullet 13Acetonitrile)

By formula: (Cl- bullet 12C2H3N) + C2H3N = (Cl- bullet 13C2H3N)

Quantity Value Units Method Reference Comment
Deltar0.9 ± 1.8kcal/molN/AMarkovich, Perera, et al., 1996gas phase; B

(Chlorine anion bullet 13Acetonitrile) + Acetonitrile = (Chlorine anion bullet 14Acetonitrile)

By formula: (Cl- bullet 13C2H3N) + C2H3N = (Cl- bullet 14C2H3N)

Quantity Value Units Method Reference Comment
Deltar-0.5 ± 1.9kcal/molN/AMarkovich, Perera, et al., 1996gas phase; B

Cesium ion (1+) + Acetonitrile = (Cesium ion (1+) bullet Acetonitrile)

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

Quantity Value Units Method Reference Comment
Deltar19.2kcal/molHPMSDavidson and Kebarle, 1976gas phase; M
Quantity Value Units Method Reference Comment
Deltar18.6cal/mol*KHPMSDavidson and Kebarle, 1976gas phase; M

(Cesium ion (1+) bullet Acetonitrile) + Acetonitrile = (Cesium ion (1+) bullet 2Acetonitrile)

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

Quantity Value Units Method Reference Comment
Deltar16.7kcal/molHPMSDavidson and Kebarle, 1976gas phase; M
Quantity Value Units Method Reference Comment
Deltar21.6cal/mol*KHPMSDavidson and Kebarle, 1976gas phase; M

(Cesium ion (1+) bullet 2Acetonitrile) + Acetonitrile = (Cesium ion (1+) bullet 3Acetonitrile)

By formula: (Cs+ bullet 2C2H3N) + C2H3N = (Cs+ bullet 3C2H3N)

Quantity Value Units Method Reference Comment
Deltar14.3kcal/molHPMSDavidson and Kebarle, 1976gas phase; M
Quantity Value Units Method Reference Comment
Deltar24.0cal/mol*KHPMSDavidson and Kebarle, 1976gas phase; M

(Cesium ion (1+) bullet 3Acetonitrile) + Acetonitrile = (Cesium ion (1+) bullet 4Acetonitrile)

By formula: (Cs+ bullet 3C2H3N) + C2H3N = (Cs+ bullet 4C2H3N)

Quantity Value Units Method Reference Comment
Deltar12.1kcal/molHPMSDavidson and Kebarle, 1976gas phase; M
Quantity Value Units Method Reference Comment
Deltar27.0cal/mol*KHPMSDavidson and Kebarle, 1976gas phase; M

(Cesium ion (1+) bullet 4Acetonitrile) + Acetonitrile = (Cesium ion (1+) bullet 5Acetonitrile)

By formula: (Cs+ bullet 4C2H3N) + C2H3N = (Cs+ bullet 5C2H3N)

Quantity Value Units Method Reference Comment
Deltar10.9kcal/molHPMSDavidson and Kebarle, 1976gas phase; M
Quantity Value Units Method Reference Comment
Deltar32.9cal/mol*KHPMSDavidson and Kebarle, 1976gas phase; M

Copper ion (1+) + Acetonitrile = (Copper ion (1+) bullet Acetonitrile)

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

Quantity Value Units Method Reference Comment
Deltar56.9 ± 0.7kcal/molCIDTVitale, 2001CH3CN is fifth ligand; RCD

(Copper ion (1+) bullet Acetonitrile) + Acetonitrile = (Copper ion (1+) bullet 2Acetonitrile)

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

Quantity Value Units Method Reference Comment
Deltar56.9 ± 2.2kcal/molCIDTVitale, 2001RCD

(Copper ion (1+) bullet 2Acetonitrile) + Acetonitrile = (Copper ion (1+) bullet 3Acetonitrile)

By formula: (Cu+ bullet 2C2H3N) + C2H3N = (Cu+ bullet 3C2H3N)

Quantity Value Units Method Reference Comment
Deltar20.1 ± 0.5kcal/molCIDTVitale, 2001RCD

(Copper ion (1+) bullet 3Acetonitrile) + Acetonitrile = (Copper ion (1+) bullet 4Acetonitrile)

By formula: (Cu+ bullet 3C2H3N) + C2H3N = (Cu+ bullet 4C2H3N)

Quantity Value Units Method Reference Comment
Deltar16.0 ± 0.5kcal/molCIDTVitale, 2001RCD

(Copper ion (1+) bullet 4Acetonitrile) + Acetonitrile = (Copper ion (1+) bullet 5Acetonitrile)

By formula: (Cu+ bullet 4C2H3N) + C2H3N = (Cu+ bullet 5C2H3N)

Quantity Value Units Method Reference Comment
Deltar14.3 ± 1.0kcal/molCIDTVitale, 2001RCD

Fluorine anion + Acetonitrile = (Fluorine anion bullet Acetonitrile)

By formula: F- + C2H3N = (F- bullet C2H3N)

Quantity Value Units Method Reference Comment
Deltar24.5 ± 2.0kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; Discrepancy with Yamdagni and Kebarle, 1972 "not resolved; B,M
Deltar16.0 ± 2.0kcal/molTDAsYamdagni and Kebarle, 1972gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar22.9cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Deltar13.4cal/mol*KPHPMSYamdagni and Kebarle, 1972gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
Deltar17.6 ± 3.3kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; Discrepancy with Yamdagni and Kebarle, 1972 "not resolved; B
Deltar12.0 ± 2.0kcal/molTDAsYamdagni and Kebarle, 1972gas phase; B

(Fluorine anion bullet Acetonitrile) + Acetonitrile = (Fluorine anion bullet 2Acetonitrile)

By formula: (F- bullet C2H3N) + C2H3N = (F- bullet 2C2H3N)

Quantity Value Units Method Reference Comment
Deltar17.7 ± 1.5kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Deltar12.90kcal/molTDAsYamdagni and Kebarle, 1972gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar22.9cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Deltar14.8cal/mol*KPHPMSYamdagni and Kebarle, 1972gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
Deltar10.8 ± 3.4kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B
Deltar8.50kcal/molTDAsYamdagni and Kebarle, 1972gas phase; B

(Fluorine anion bullet 2Acetonitrile) + Acetonitrile = (Fluorine anion bullet 3Acetonitrile)

By formula: (F- bullet 2C2H3N) + C2H3N = (F- bullet 3C2H3N)

Quantity Value Units Method Reference Comment
Deltar15.1 ± 1.0kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Deltar11.70kcal/molTDAsYamdagni and Kebarle, 1972gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar22.4cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Deltar17.9cal/mol*KPHPMSYamdagni and Kebarle, 1972gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
Deltar8.4 ± 2.5kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B
Deltar6.40kcal/molTDAsYamdagni and Kebarle, 1972gas phase; B

(Fluorine anion bullet 3Acetonitrile) + Acetonitrile = (Fluorine anion bullet 4Acetonitrile)

By formula: (F- bullet 3C2H3N) + C2H3N = (F- bullet 4C2H3N)

Quantity Value Units Method Reference Comment
Deltar12.80 ± 0.50kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Deltar10.40kcal/molTDAsYamdagni and Kebarle, 1972gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar26.3cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Deltar19.6cal/mol*KPHPMSYamdagni and Kebarle, 1972gas phase; M
Quantity Value Units Method Reference Comment
Deltar4.9 ± 1.9kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B
Deltar4.50kcal/molTDAsYamdagni and Kebarle, 1972gas phase; B

(Fluorine anion bullet 4Acetonitrile) + Acetonitrile = (Fluorine anion bullet 5Acetonitrile)

By formula: (F- bullet 4C2H3N) + C2H3N = (F- bullet 5C2H3N)

Quantity Value Units Method Reference Comment
Deltar11.50 ± 0.20kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Deltar5.30kcal/molTDAsYamdagni and Kebarle, 1972gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar29.6cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Deltar7.4cal/mol*KPHPMSYamdagni and Kebarle, 1972gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
Deltar2.60 ± 0.80kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B
Deltar3.10kcal/molTDAsYamdagni and Kebarle, 1972gas phase; B

(Fluorine anion bullet 5Acetonitrile) + Acetonitrile = (Fluorine anion bullet 6Acetonitrile)

By formula: (F- bullet 5C2H3N) + C2H3N = (F- bullet 6C2H3N)

Quantity Value Units Method Reference Comment
Deltar9.70 ± 0.20kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar27.8cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar1.40 ± 0.90kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B

(Fluorine anion bullet 6Acetonitrile) + Acetonitrile = (Fluorine anion bullet 7Acetonitrile)

By formula: (F- bullet 6C2H3N) + C2H3N = (F- bullet 7C2H3N)

Quantity Value Units Method Reference Comment
Deltar8.50kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; Entropy estimated; B,M
Quantity Value Units Method Reference Comment
Deltar28.cal/mol*KN/AHiraoka, Mizuse, et al., 1988gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar0.10kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; Entropy estimated; B

NH4+ + Acetonitrile = (NH4+ bullet Acetonitrile)

By formula: H4N+ + C2H3N = (H4N+ bullet C2H3N)

Quantity Value Units Method Reference Comment
Deltar27.6kcal/molPHPMSLiebman, Romm, et al., 1991gas phase; M
Quantity Value Units Method Reference Comment
Deltar24.2cal/mol*KPHPMSLiebman, Romm, et al., 1991gas phase; M

(NH4+ bullet Acetonitrile) + Acetonitrile = (NH4+ bullet 2Acetonitrile)

By formula: (H4N+ bullet C2H3N) + C2H3N = (H4N+ bullet 2C2H3N)

Quantity Value Units Method Reference Comment
Deltar21.2kcal/molPHPMSLiebman, Romm, et al., 1991gas phase; M
Quantity Value Units Method Reference Comment
Deltar25.4cal/mol*KPHPMSLiebman, Romm, et al., 1991gas phase; M

(NH4+ bullet 2Acetonitrile) + Acetonitrile = (NH4+ bullet 3Acetonitrile)

By formula: (H4N+ bullet 2C2H3N) + C2H3N = (H4N+ bullet 3C2H3N)

Quantity Value Units Method Reference Comment
Deltar14.2kcal/molPHPMSLiebman, Romm, et al., 1991gas phase; M
Quantity Value Units Method Reference Comment
Deltar19.5cal/mol*KPHPMSLiebman, Romm, et al., 1991gas phase; M

(NH4+ bullet 3Acetonitrile) + Acetonitrile = (NH4+ bullet 4Acetonitrile)

By formula: (H4N+ bullet 3C2H3N) + C2H3N = (H4N+ bullet 4C2H3N)

Quantity Value Units Method Reference Comment
Deltar11.7kcal/molPHPMSLiebman, Romm, et al., 1991gas phase; M
Quantity Value Units Method Reference Comment
Deltar22.2cal/mol*KPHPMSLiebman, Romm, et al., 1991gas phase; M

Iodide + Acetonitrile = (Iodide bullet Acetonitrile)

By formula: I- + C2H3N = (I- bullet C2H3N)

Quantity Value Units Method Reference Comment
Deltar11.9 ± 2.0kcal/molTDAsYamdagni and Kebarle, 1972gas phase; B,M
Deltar11.10 ± 0.40kcal/molN/AMarkovich, Perera, et al., 1996gas phase; B
Deltar11.1 ± 1.1kcal/molLPESDessent, Bailey, et al., 1995gas phase; B
Deltar11.00 ± 0.20kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Deltar12.kcal/molPHPMSCaldwell, Masucci, et al., 1989gas phase; M
Quantity Value Units Method Reference Comment
Deltar13.8cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Deltar18.2cal/mol*KPHPMSYamdagni and Kebarle, 1972gas phase; M
Quantity Value Units Method Reference Comment
Deltar6.4 ± 2.0kcal/molTDAsYamdagni and Kebarle, 1972gas phase; B
Deltar6.6 ± 2.0kcal/molIMRETanabe, Morgon, et al., 1996gas phase; Anchored to H2O..I- of Caldwell and Kebarle, 1984; B
Deltar6.90 ± 0.50kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B

(Iodide bullet Acetonitrile) + Acetonitrile = (Iodide bullet 2Acetonitrile)

By formula: (I- bullet C2H3N) + C2H3N = (I- bullet 2C2H3N)

Quantity Value Units Method Reference Comment
Deltar10.40 ± 0.20kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Deltar11.10 ± 0.70kcal/molN/AMarkovich, Perera, et al., 1996gas phase; B
Deltar11.10 ± 0.40kcal/molN/ADessent, Bailey, et al., 1995gas phase; Vertical Detachment Energy: 2.25±0.08 eV.; B
Deltar10.50kcal/molTDAsYamdagni and Kebarle, 1972gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar18.4cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Deltar20.8cal/mol*KPHPMSYamdagni and Kebarle, 1972gas phase; M
Quantity Value Units Method Reference Comment
Deltar4.90 ± 0.80kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B
Deltar4.30kcal/molTDAsYamdagni and Kebarle, 1972gas phase; B

(Iodide bullet 2Acetonitrile) + Acetonitrile = (Iodide bullet 3Acetonitrile)

By formula: (I- bullet 2C2H3N) + C2H3N = (I- bullet 3C2H3N)

Quantity Value Units Method Reference Comment
Deltar9.20 ± 0.20kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Deltar9.70 ± 0.70kcal/molN/AMarkovich, Perera, et al., 1996gas phase; B
Deltar9.30kcal/molTDAsYamdagni and Kebarle, 1972gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar19.9cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Deltar22.1cal/mol*KPHPMSYamdagni and Kebarle, 1972gas phase; M
Quantity Value Units Method Reference Comment
Deltar3.20 ± 0.80kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B
Deltar2.70kcal/molTDAsYamdagni and Kebarle, 1972gas phase; B

(Iodide bullet 3Acetonitrile) + Acetonitrile = (Iodide bullet 4Acetonitrile)

By formula: (I- bullet 3C2H3N) + C2H3N = (I- bullet 4C2H3N)

Quantity Value Units Method Reference Comment
Deltar7.80 ± 0.10kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Deltar7.40 ± 0.80kcal/molN/AMarkovich, Perera, et al., 1996gas phase; B
Quantity Value Units Method Reference Comment
Deltar19.3cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar2.00 ± 0.40kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B

(Iodide bullet 4Acetonitrile) + Acetonitrile = (Iodide bullet 5Acetonitrile)

By formula: (I- bullet 4C2H3N) + C2H3N = (I- bullet 5C2H3N)

Quantity Value Units Method Reference Comment
Deltar7.10 ± 0.30kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Deltar10.60 ± 0.90kcal/molN/AMarkovich, Perera, et al., 1996gas phase; B
Quantity Value Units Method Reference Comment
Deltar18.9cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar1.4 ± 1.4kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B

(Iodide bullet 5Acetonitrile) + Acetonitrile = (Iodide bullet 6Acetonitrile)

By formula: (I- bullet 5C2H3N) + C2H3N = (I- bullet 6C2H3N)

Quantity Value Units Method Reference Comment
Deltar-2.5 ± 1.0kcal/molN/AMarkovich, Perera, et al., 1996gas phase; B

(Iodide bullet 6Acetonitrile) + Acetonitrile = (Iodide bullet 7Acetonitrile)

By formula: (I- bullet 6C2H3N) + C2H3N = (I- bullet 7C2H3N)

Quantity Value Units Method Reference Comment
Deltar3.7 ± 1.1kcal/molN/AMarkovich, Perera, et al., 1996gas phase; B

(Iodide bullet 7Acetonitrile) + Acetonitrile = (Iodide bullet 8Acetonitrile)

By formula: (I- bullet 7C2H3N) + C2H3N = (I- bullet 8C2H3N)

Quantity Value Units Method Reference Comment
Deltar3.0 ± 1.2kcal/molN/AMarkovich, Perera, et al., 1996gas phase; B

(Iodide bullet 8Acetonitrile) + Acetonitrile = (Iodide bullet 9Acetonitrile)

By formula: (I- bullet 8C2H3N) + C2H3N = (I- bullet 9C2H3N)

Quantity Value Units Method Reference Comment
Deltar2.5 ± 1.4kcal/molN/AMarkovich, Perera, et al., 1996gas phase; B

(Iodide bullet 9Acetonitrile) + Acetonitrile = (Iodide bullet 10Acetonitrile)

By formula: (I- bullet 9C2H3N) + C2H3N = (I- bullet 10C2H3N)

Quantity Value Units Method Reference Comment
Deltar2.5 ± 1.5kcal/molN/AMarkovich, Perera, et al., 1996gas phase; B

(Iodide bullet 10Acetonitrile) + Acetonitrile = (Iodide bullet 11Acetonitrile)

By formula: (I- bullet 10C2H3N) + C2H3N = (I- bullet 11C2H3N)

Quantity Value Units Method Reference Comment
Deltar2.1 ± 1.6kcal/molN/AMarkovich, Perera, et al., 1996gas phase; B

(Iodide bullet 11Acetonitrile) + Acetonitrile = (Iodide bullet 12Acetonitrile)

By formula: (I- bullet 11C2H3N) + C2H3N = (I- bullet 12C2H3N)

Quantity Value Units Method Reference Comment
Deltar2.1 ± 1.7kcal/molN/AMarkovich, Perera, et al., 1996gas phase; B

(Iodide bullet 13Acetonitrile) + Acetonitrile = (Iodide bullet 14Acetonitrile)

By formula: (I- bullet 13C2H3N) + C2H3N = (I- bullet 14C2H3N)

Quantity Value Units Method Reference Comment
Deltar-0.9 ± 1.9kcal/molN/AMarkovich, Perera, et al., 1996gas phase; B

Potassium ion (1+) + Acetonitrile = (Potassium ion (1+) bullet Acetonitrile)

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

Quantity Value Units Method Reference Comment
Deltar24.4kcal/molHPMSDavidson and Kebarle, 1976gas phase; M
Quantity Value Units Method Reference Comment
Deltar21.5cal/mol*KHPMSDavidson and Kebarle, 1976gas phase; M

(Potassium ion (1+) bullet Acetonitrile) + Acetonitrile = (Potassium ion (1+) bullet 2Acetonitrile)

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

Quantity Value Units Method Reference Comment
Deltar20.6kcal/molHPMSDavidson and Kebarle, 1976gas phase; M
Quantity Value Units Method Reference Comment
Deltar24.2cal/mol*KHPMSDavidson and Kebarle, 1976gas phase; M

(Potassium ion (1+) bullet 2Acetonitrile) + Acetonitrile = (Potassium ion (1+) bullet 3Acetonitrile)

By formula: (K+ bullet 2C2H3N) + C2H3N = (K+ bullet 3C2H3N)

Quantity Value Units Method Reference Comment
Deltar18.2kcal/molHPMSDavidson and Kebarle, 1976gas phase; M
Quantity Value Units Method Reference Comment
Deltar28.3cal/mol*KHPMSDavidson and Kebarle, 1976gas phase; M

(Potassium ion (1+) bullet 3Acetonitrile) + Acetonitrile = (Potassium ion (1+) bullet 4Acetonitrile)

By formula: (K+ bullet 3C2H3N) + C2H3N = (K+ bullet 4C2H3N)

Quantity Value Units Method Reference Comment
Deltar13.6kcal/molHPMSDavidson and Kebarle, 1976gas phase; M
Quantity Value Units Method Reference Comment
Deltar27.5cal/mol*KHPMSDavidson and Kebarle, 1976gas phase; M

(Potassium ion (1+) bullet 4Acetonitrile) + Acetonitrile = (Potassium ion (1+) bullet 5Acetonitrile)

By formula: (K+ bullet 4C2H3N) + C2H3N = (K+ bullet 5C2H3N)

Quantity Value Units Method Reference Comment
Deltar11.5kcal/molHPMSDavidson and Kebarle, 1976gas phase; M
Quantity Value Units Method Reference Comment
Deltar33.7cal/mol*KHPMSDavidson and Kebarle, 1976gas phase; M

Lithium ion (1+) + Acetonitrile = (Lithium ion (1+) bullet Acetonitrile)

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

Quantity Value Units Method Reference Comment
Deltar43.kcal/molICRStaley and Beauchamp, 1975gas phase; switching reaction(Li+)H2O, from graph; Dzidic and Kebarle, 1970 interpolated; M

Nitrogen oxide anion + Acetonitrile = (Nitrogen oxide anion bullet Acetonitrile)

By formula: NO2- + C2H3N = (NO2- bullet C2H3N)

Quantity Value Units Method Reference Comment
Deltar13.40 ± 0.10kcal/molTDAsSieck, 1985gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar15.3cal/mol*KPHPMSSieck, 1985gas phase; M
Quantity Value Units Method Reference Comment
Deltar8.80 ± 0.20kcal/molTDAsSieck, 1985gas phase; B

Sodium ion (1+) + Acetonitrile = (Sodium ion (1+) bullet Acetonitrile)

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

Quantity Value Units Method Reference Comment
Deltar30.5 ± 1.1kcal/molCIDTValina, 2001RCD

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
23.6298.IMREMcMahon and Ohanessian, 2000Anchor alanine=39.89; RCD

(Sodium ion (1+) bullet Acetonitrile) + Acetonitrile = (Sodium ion (1+) bullet 2Acetonitrile)

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

Quantity Value Units Method Reference Comment
Deltar26.1 ± 1.9kcal/molCIDTValina, 2001RCD
Deltar24.4kcal/molHPMSDavidson and Kebarle, 1976gas phase; M
Quantity Value Units Method Reference Comment
Deltar22.7cal/mol*KHPMSDavidson and Kebarle, 1976gas phase; M

(Sodium ion (1+) bullet 2Acetonitrile) + Acetonitrile = (Sodium ion (1+) bullet 3Acetonitrile)

By formula: (Na+ bullet 2C2H3N) + C2H3N = (Na+ bullet 3C2H3N)

Quantity Value Units Method Reference Comment
Deltar21.2 ± 0.7kcal/molCIDTValina, 2001RCD
Deltar20.6kcal/molHPMSDavidson and Kebarle, 1976gas phase; M
Quantity Value Units Method Reference Comment
Deltar27.5cal/mol*KHPMSDavidson and Kebarle, 1976gas phase; M

(Sodium ion (1+) bullet 3Acetonitrile) + Acetonitrile = (Sodium ion (1+) bullet 4Acetonitrile)

By formula: (Na+ bullet 3C2H3N) + C2H3N = (Na+ bullet 4C2H3N)

Quantity Value Units Method Reference Comment
Deltar15.4 ± 0.6kcal/molCIDTValina, 2001RCD
Deltar14.9kcal/molHPMSDavidson and Kebarle, 1976gas phase; M
Quantity Value Units Method Reference Comment
Deltar27.9cal/mol*KHPMSDavidson and Kebarle, 1976gas phase; M

(Sodium ion (1+) bullet 4Acetonitrile) + Acetonitrile = (Sodium ion (1+) bullet 5Acetonitrile)

By formula: (Na+ bullet 4C2H3N) + C2H3N = (Na+ bullet 5C2H3N)

Quantity Value Units Method Reference Comment
Deltar12.6 ± 0.8kcal/molCIDTValina, 2001CH3CN is fifth ligand; RCD
Deltar12.7kcal/molHPMSDavidson and Kebarle, 1976gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
Deltar41.2cal/mol*KHPMSDavidson and Kebarle, 1976gas phase; Entropy change is questionable; M

Oxygen anion + Acetonitrile = (Oxygen anion bullet Acetonitrile)

By formula: O2- + C2H3N = (O2- bullet C2H3N)

Quantity Value Units Method Reference Comment
Deltar16.40kcal/molTDAsYamdagni, Payzant, et al., 1973gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar17.4cal/mol*KPHPMSYamdagni, Payzant, et al., 1973gas phase; M
Quantity Value Units Method Reference Comment
Deltar11.20kcal/molTDAsYamdagni, Payzant, et al., 1973gas phase; B

(Oxygen anion bullet Acetonitrile) + Acetonitrile = (Oxygen anion bullet 2Acetonitrile)

By formula: (O2- bullet C2H3N) + C2H3N = (O2- bullet 2C2H3N)

Quantity Value Units Method Reference Comment
Deltar14.20 ± 0.70kcal/molTDAsYamdagni, Payzant, et al., 1973gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar22.0cal/mol*KPHPMSYamdagni, Payzant, et al., 1973gas phase; M
Quantity Value Units Method Reference Comment
Deltar7.70 ± 0.40kcal/molTDAsYamdagni, Payzant, et al., 1973gas phase; B

(Oxygen anion bullet 2Acetonitrile) + Acetonitrile = (Oxygen anion bullet 3Acetonitrile)

By formula: (O2- bullet 2C2H3N) + C2H3N = (O2- bullet 3C2H3N)

Quantity Value Units Method Reference Comment
Deltar11.90 ± 0.60kcal/molTDAsYamdagni, Payzant, et al., 1973gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar24.7cal/mol*KPHPMSYamdagni, Payzant, et al., 1973gas phase; M
Quantity Value Units Method Reference Comment
Deltar4.50 ± 0.20kcal/molTDAsYamdagni, Payzant, et al., 1973gas phase; B

(Oxygen anion bullet 3Acetonitrile) + Acetonitrile = (Oxygen anion bullet 4Acetonitrile)

By formula: (O2- bullet 3C2H3N) + C2H3N = (O2- bullet 4C2H3N)

Quantity Value Units Method Reference Comment
Deltar9.50 ± 0.50kcal/molTDAsYamdagni, Payzant, et al., 1973gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar22.4cal/mol*KPHPMSYamdagni, Payzant, et al., 1973gas phase; M
Quantity Value Units Method Reference Comment
Deltar2.80 ± 0.10kcal/molTDAsYamdagni, Payzant, et al., 1973gas phase; B

Rubidium ion (1+) + Acetonitrile = (Rubidium ion (1+) bullet Acetonitrile)

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

Quantity Value Units Method Reference Comment
Deltar20.7kcal/molHPMSDavidson and Kebarle, 1976gas phase; M
Quantity Value Units Method Reference Comment
Deltar18.1cal/mol*KHPMSDavidson and Kebarle, 1976gas phase; M

(Rubidium ion (1+) bullet Acetonitrile) + Acetonitrile = (Rubidium ion (1+) bullet 2Acetonitrile)

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

Quantity Value Units Method Reference Comment
Deltar17.7kcal/molHPMSDavidson and Kebarle, 1976gas phase; M
Quantity Value Units Method Reference Comment
Deltar20.9cal/mol*KHPMSDavidson and Kebarle, 1976gas phase; M

(Rubidium ion (1+) bullet 2Acetonitrile) + Acetonitrile = (Rubidium ion (1+) bullet 3Acetonitrile)

By formula: (Rb+ bullet 2C2H3N) + C2H3N = (Rb+ bullet 3C2H3N)

Quantity Value Units Method Reference Comment
Deltar15.7kcal/molHPMSDavidson and Kebarle, 1976gas phase; M
Quantity Value Units Method Reference Comment
Deltar24.8cal/mol*KHPMSDavidson and Kebarle, 1976gas phase; M

(Rubidium ion (1+) bullet 3Acetonitrile) + Acetonitrile = (Rubidium ion (1+) bullet 4Acetonitrile)

By formula: (Rb+ bullet 3C2H3N) + C2H3N = (Rb+ bullet 4C2H3N)

Quantity Value Units Method Reference Comment
Deltar12.5kcal/molHPMSDavidson and Kebarle, 1976gas phase; M
Quantity Value Units Method Reference Comment
Deltar25.7cal/mol*KHPMSDavidson and Kebarle, 1976gas phase; M

(Rubidium ion (1+) bullet 4Acetonitrile) + Acetonitrile = (Rubidium ion (1+) bullet 5Acetonitrile)

By formula: (Rb+ bullet 4C2H3N) + C2H3N = (Rb+ bullet 5C2H3N)

Quantity Value Units Method Reference Comment
Deltar11.1kcal/molHPMSDavidson and Kebarle, 1976gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
Deltar32.5cal/mol*KHPMSDavidson and Kebarle, 1976gas phase; Entropy change is questionable; M

References

Go To: Top, Ion clustering data, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Shoieb, Aribi, et al., 2001
Shoieb, T.; Aribi, H.; Siu, K.W.M.; Hopkinson, A.C., A Study of Silver(I) Ion-Organometallic Complexes: Ion Structures, Binding Energies, and Substituent Effects, J. Phys. Chem. A, 2001, 105, 4, 710, https://doi.org/10.1021/jp002676m . [all data]

Li, Ross, et al., 1996
Li, C.; Ross, P.; Szulejko, J.; McMahon, T.B., High-Pressure Mass Spectrometric Investigations of the Potential Energy Surfaces of Gas-Phase Sn2 Reactions., J. Am. Chem. Soc., 1996, 118, 39, 9360, https://doi.org/10.1021/ja960565o . [all data]

Markovich, Perera, et al., 1996
Markovich, G.; Perera, L.; Berkowitz, M.L.; Cheshnovsky, O., The Solvation of Cl-, Br-, and I- in Acetonitrile Cluster: Photoelectron Spectroscopy and Molecular Dynamics Simulations., J. Chem. Phys., 1996, 105, 7, 2675, https://doi.org/10.1063/1.472131 . [all data]

Hiraoka, Mizuse, et al., 1988
Hiraoka, K.; Mizuse, S.; Yamabe, S., Solvation of Halide Ions with H2O and CH3CN in the Gas Phase, J. Phys. Chem., 1988, 92, 13, 3943, https://doi.org/10.1021/j100324a051 . [all data]

Yamdagni and Kebarle, 1972
Yamdagni, R.; Kebarle, P., Solvation of negative ions by protic and aprotic solvents. Gas phase solvation of halide ions by acetonitrile and water molecules, J. Am. Chem. Soc., 1972, 94, 2940. [all data]

Caldwell, Masucci, et al., 1989
Caldwell, G.W.; Masucci, J.A.; Ikonomou, M.G., Negative Ion Chemical Ionization Mass Spectrometry - Binding of Molecules to Bromide and Iodide Anions, Org. Mass Spectrom., 1989, 24, 1, 8, https://doi.org/10.1002/oms.1210240103 . [all data]

Tanabe, Morgon, et al., 1996
Tanabe, F.K.J.; Morgon, N.H.; Riveros, J.M., Relative Bromide and Iodide Affinity of Simple Solvent Molecules Determined by FT-ICR, J. Phys. Chem., 1996, 100, 8, 2862-2866, https://doi.org/10.1021/jp952290p . [all data]

Hiraoka, Mizure, et al., 1988
Hiraoka, K.; Mizure, S.; Yamabe, S.; Nakatsuji, Y., Gas Phase Clustering Reactions of CN- and CH2CN- with MeCN, Chem. Phys. Lett., 1988, 148, 6, 497, https://doi.org/10.1016/0009-2614(88)80320-8 . [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) and Sieck, 1985
Meot-Ner (Mautner), M.; Sieck, L.W., The Ionic Hydrogen Bond and Ion Solvation. 4. SH+ O and NH+ S Bonds. Correlations with Proton Affinity. Mutual Effects of Weak and Strong Ligands in Mixed Clusters, J. Phys. Chem., 1985, 89, 24, 5222, https://doi.org/10.1021/j100270a021 . [all data]

Meot-ner, 1988
Meot-ner, M., Ionic Hydrogen Bond and Ion Solvation. 6. Interaction Energies of the Acetate Ion with Organic Molecules. Comparison of CH3COO- with Cl-, CN-, and SH-, J. Am. Chem. Soc., 1988, 110, 12, 3854, https://doi.org/10.1021/ja00220a022 . [all data]

Larson and McMahon, 1987
Larson, J.W.; McMahon, T.B., Hydrogen bonding in gas phase anions. The energetics of interaction between cyanide ion and bronsted acids, J. Am. Chem. Soc., 1987, 109, 6230. [all data]

Payzant, Yamdagni, et al., 1971
Payzant, J.D.; Yamdagni, R.; Kebarle, P., Hydration of CN-, NO2-, NO3-, and HO- in the gas phase, Can. J. Chem., 1971, 49, 3308. [all data]

Meot-ner, 1988, 2
Meot-ner, M., The Ionic Hydrogen Bond and Solvation. 7. Interaction Energies of Carbanions with Solvent Molecules, J. Am. Chem. Soc., 1988, 110, 12, 3858, https://doi.org/10.1021/ja00220a022 . [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]

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]

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]

Bromilow, Abboud, et al., 1980
Bromilow, J.; Abboud, J.L.M.; Lebrilla, C.B.; Taft, R.W.; Scorrano, G.; Lucchini, V., Oxonium Ions. Solvation by Single Acetonitrile Molecules in the Gas Phase and by Bulk Solvents, J. Am. Chem. Soc., 1980, 103, 18, 5448, https://doi.org/10.1021/ja00408a028 . [all data]

Grimsrud and Kebarle, 1973
Grimsrud, E.P.; Kebarle, P., Gas Phase Ion Equilibria Studies of the Solvation of the Hydrogen Ion by Methanol, Dimethyl Ether and Water. Effect of Hydrogen Bonding, J. Am. Chem. Soc., 1973, 95, 24, 7939, https://doi.org/10.1021/ja00805a002 . [all data]

Mackay, Rakshit, et al., 1982
Mackay, G.I.; Rakshit, A.B.; Bohme, D.K., An Experimental Study of the Reactivity and Relative Basicity of the Methoxide Anion in the Gas Phase at Room Temperature, and their Perturbation by Methanol Solvent, Can. J. Chem., 1982, 60, 20, 2594, https://doi.org/10.1139/v82-373 . [all data]

Stone and Splinter, 1984
Stone, J.A.; Splinter, D.E., A high-pressure mass spectrometric study of the binding of (CH3)3Sn+ to lewis bases in the gas phase, Int. J. Mass Spectrom. Ion Processes, 1984, 59, 169. [all data]

Chowdhury, Grimsrud, et al., 1987
Chowdhury, S.; Grimsrud, E.P.; Kebarle, P., Bonding of Charged Delocalized Anions to Protic and Dipolar Aprotic Solvent Molecules, J. Phys. Chem., 1987, 91, 10, 2551, https://doi.org/10.1021/j100294a021 . [all data]

Lias, Liebman, et al., 1984
Lias, S.G.; Liebman, J.F.; Levin, R.D., Evaluated gas phase basicities and proton affinities of molecules heats of formation of protonated molecules, J. Phys. Chem. Ref. Data, 1984, 13, 695. [all data]

Chowdhury, 1987
Chowdhury, S. Grimsrud, Bonding of Charge Delocalized Anions to Protic and Dipolar Aprotic Solvents, J. Phys. Chem., 1987, 91, 10, 2551, https://doi.org/10.1021/j100294a021 . [all data]

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]

Meot-Ner (Mautner), 1989
Meot-Ner (Mautner), M., Ion DChemistry of Ferrocene. Thermochemistry of Ionization and Protonation and Solvent Clustering. Slow and Entropy - Driven Proton - Transfer Kinetics, J. Am. Chem. Soc., 1989, 111, 8, 2830, https://doi.org/10.1021/ja00190a014 . [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]

Yamabe, Furumiya, et al., 1986
Yamabe, S.; Furumiya, Y.; Hiraoka, K.; Morise, K., Theoretical Van't Hoff plots of gas phase ion equilibria of Cl- ion in water, methanol and acetonitrile, Chem. Phys. Lett., 1986, 131, 261. [all data]

Sieck, 1985
Sieck, L.W., Thermochemistry of Solvation of NO2- and C6H5NO2- by Polar Molecules in the Vapor Phase. Comparison with Cl- and Variation with Ligand Structure., J. Phys. Chem., 1985, 89, 25, 5552, https://doi.org/10.1021/j100271a049 . [all data]

Larson and McMahon, 1984
Larson, J.W.; McMahon, T.B., Hydrogen bonding in gas phase anions. An experimental investigation of the interaction between chloride ion and bronsted acids from ICR chloride exchange equilibria, J. Am. Chem. Soc., 1984, 106, 517. [all data]

Larson and McMahon, 1984, 2
Larson, J.W.; McMahon, T.B., Gas phase negative ion chemistry of alkylchloroformates, Can. J. Chem., 1984, 62, 675. [all data]

Davidson and Kebarle, 1976
Davidson, W.R.; Kebarle, P., Ionic Solvation by Aprotic Solvents. Gas Phase Solvation of the Alkali Ions by Acetonitrile, J. Am. Chem. Soc., 1976, 98, 20, 6125, https://doi.org/10.1021/ja00436a010 . [all data]

Vitale, 2001
Vitale, G., Solvation of Copper Ions by Acetonitrile. Structures and Sequential Binding Energies of Cu+(CH3CN)x, x=1-5 From Collision-Induced Dissociation and Theoretical Studies, J. Phys. Chem. A, 2001, 105, 50, 11351, https://doi.org/10.1021/jp0132432 . [all data]

Liebman, Romm, et al., 1991
Liebman, J.F.; Romm, M.J.; Meot-Ner (Mautner), M.; Cybulski, S.M.; Scheiner, S., Isotropy in ionic interactions. 2. How spherical is the ammonium ion? Comparison of the gas-phase clustering energies and condensed-phase thermochemistry of K+ and NH4+, J. Phys. Chem., 1991, 95, 3, 1112, https://doi.org/10.1021/j100156a018 . [all data]

Dessent, Bailey, et al., 1995
Dessent, C.E.H.; Bailey, C.G.; Johnson, M.A., Dipole-bound excited states of the I-center dot CH3CN and I-center dot(CH3CN)2 ion-molecule complexes: Evidence for asymmetric solvation, J. Chem. Phys., 1995, 103, 6, 2006, https://doi.org/10.1063/1.469727 . [all data]

Caldwell and Kebarle, 1984
Caldwell, G.; Kebarle, P., Binding energies and structural effects in halide anion-ROH and -RCOOH complexes from gas phase equilibria measurements, J. Am. Chem. Soc., 1984, 106, 967. [all data]

Staley and Beauchamp, 1975
Staley, R.H.; Beauchamp, J.L., Intrinsic Acid - Base Properties of Molecules. Binding Energies of Li+ to pi - and n - Donor Bases, J. Am. Chem. Soc., 1975, 97, 20, 5920, https://doi.org/10.1021/ja00853a050 . [all data]

Dzidic and Kebarle, 1970
Dzidic, I.; Kebarle, P., Hydration of the Alkali Ions in the Gas Phase. Enthalpies and Entropies of Reactions M+(H2O)n-1 + H2O = M+(H2O)n, J. Phys. Chem., 1970, 74, 7, 1466, https://doi.org/10.1021/j100702a013 . [all data]

Valina, 2001
Valina, A.B., Collision-Induced Dissociation and Theoretical Studies of Na+-Acetonitrile Complexes, J. Phys. Chem. A, 2001, 105, 49, 11057, https://doi.org/10.1021/jp0128123 . [all data]

McMahon and Ohanessian, 2000
McMahon, T.B.; Ohanessian, G., An Experimental and Ab Initio Study of the Nature of the Binding in Gas-Phase Complexes of Sodium Ions, Chem. Eur. J., 2000, 6, 16, 2931, https://doi.org/10.1002/1521-3765(20000818)6:16<2931::AID-CHEM2931>3.0.CO;2-7 . [all data]

Yamdagni, Payzant, et al., 1973
Yamdagni, R.; Payzant, J.D.; Kebarle, P., Solvation of Cl- and O2- with H2O, CH3OH, and CH3CN in the gas phase, Can. J. Chem., 1973, 51, 2507. [all data]


Notes

Go To: Top, Ion clustering data, References