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.


Reaction thermochemistry 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:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
MS - José A. Martinho Simões
RCD - Robert C. Dunbar

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.

Reactions 1 to 50

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

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

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

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- + Hydrogen cation = Acetonitrile

By formula: C2H2N- + H+ = C2H3N

Quantity Value Units Method Reference Comment
Deltar372.9 ± 2.1kcal/molG+TSBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
Deltar369.0 ± 4.5kcal/molCIDTGraul and Squires, 1990gas phase; B
Deltar373.3 ± 2.6kcal/molG+TSCumming and Kebarle, 1978gas phase; B
Deltar374.8 ± 2.0kcal/molD-EAZimmerman and Brauman, 1977gas phase; B
Deltar366.6 ± 4.6kcal/molEIAEHeni and Illenberger, 1986gas phase; From MeCN; B
Quantity Value Units Method Reference Comment
Deltar365.2 ± 2.0kcal/molIMREBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
Deltar365.6 ± 2.0kcal/molIMRECumming and Kebarle, 1978gas phase; B
Deltar367.2 ± 2.1kcal/molH-TSZimmerman and Brauman, 1977gas 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

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

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

(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

(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

(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 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

(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

(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 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

(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 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 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 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

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

(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; 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
2.8316.PHPMSDeakyne, Meot-Ner (Mautner), et al., 1986gas phase; n, Entropy change calculated or estimated; M

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

(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

(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

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

By formula: (CH6N+ bullet 2C2H3N) + CH4S = (CH6N+ bullet CH4S bullet 2C2H3N)

Quantity Value Units Method Reference Comment
Deltar7.8kcal/molPHPMSMeot-Ner (Mautner) and Sieck, 1985gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar20.cal/mol*KN/AMeot-Ner (Mautner) and Sieck, 1985gas phase; Entropy change calculated or estimated; M

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
2.4270.PHPMSMeot-Ner (Mautner) and Sieck, 1985gas phase; Entropy change calculated or estimated; 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 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 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

(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

(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

(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

(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

C9H9N3O3W (cr) = 0.5Tungsten hexacarbonyl (g) + 0.5tungsten (cr) + 3Acetonitrile (g)

By formula: C9H9N3O3W (cr) = 0.5C6O6W (g) + 0.5W (cr) + 3C2H3N (g)

Quantity Value Units Method Reference Comment
Deltar46.6kcal/molTD-HFCAdedeji, Connor, et al., 1978The value for the reaction enthalpy corresponds to the thermal decomposition experiments and leads to -99.2 kcal/mol for the enthalpy of formation of W(CO)3(MeCN)3(cr). The value -405.0±12.0 was recommended by the authors Adedeji, Connor, et al., 1978; MS

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

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

(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

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

(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

(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

(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

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

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

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

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

(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; M
Quantity Value Units Method Reference Comment
Deltar24.1cal/mol*KPHPMSEl-Shall, Olafsdottir, et al., 1991gas phase; M

References

Go To: Top, Reaction thermochemistry data, Notes

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

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]

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]

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]

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]

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]

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]

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]

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]

Bartmess, Scott, et al., 1979
Bartmess, J.E.; Scott, J.A.; McIver, R.T., Jr., The gas phase acidity scale from methanol to phenol, J. Am. Chem. Soc., 1979, 101, 6047. [all data]

Graul and Squires, 1990
Graul, S.T.; Squires, R.R., Gas-Phase Acidities Derived from Threshold Energies for Activated Reactions, J. Am. Chem. Soc., 1990, 112, 7, 2517, https://doi.org/10.1021/ja00163a007 . [all data]

Cumming and Kebarle, 1978
Cumming, J.B.; Kebarle, P., Summary of gas phase measurements involving acids AH. Entropy changes in proton transfer reactions involving negative ions. Bond dissociation energies D(A-H) and electron affinities EA(A), Can. J. Chem., 1978, 56, 1. [all data]

Zimmerman and Brauman, 1977
Zimmerman, A.H.; Brauman, J.I., Electron photodetachment from negative ions of C2v symmetry. Electron affinities of allyl and cyanomethyl radicals, J. Am. Chem. Soc., 1977, 99, 3565. [all data]

Heni and Illenberger, 1986
Heni, M.; Illenberger, E., Electron attachment by saturated nitriles. Acrylonitrile (CH2H3CN), and benzonitrile (C6H5CN), Int. J. Mass Spectrom. Ion Phys., 1986, 73, 127. [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]

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]

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]

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]

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]

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]

Adedeji, Connor, et al., 1978
Adedeji, F.A.; Connor, J.A.; Demain, C.P.; Martinho Simões, J.A.; Skinner, H.A.; Zafarani- Moattar, M.T., J. Organometal. Chem., 1978, 149, 333. [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]

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]

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]

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]

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]

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, References