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Ethanol

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Ion clustering data

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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
RCD - Robert C. Dunbar

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

Bromine anion + Ethanol = C2H6BrO-

By formula: Br- + C2H6O = C2H6BrO-

Quantity Value Units Method Reference Comment
Deltar14.10 ± 0.20kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Quantity Value Units Method Reference Comment
Deltar8.20kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Deltar8.8 ± 2.0kcal/molIMRETanabe, Morgon, et al., 1996gas phase; Anchored to H2O..Br- of Hiraoka, Mizure, et al., 19882; B

Bromine anion + 2Ethanol = C4H12BrO2-

By formula: Br- + 2C2H6O = C4H12BrO2-

Quantity Value Units Method Reference Comment
Deltar11.50 ± 0.60kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Quantity Value Units Method Reference Comment
Deltar5.72kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B

Bromine anion + 3Ethanol = C6H18BrO3-

By formula: Br- + 3C2H6O = C6H18BrO3-

Quantity Value Units Method Reference Comment
Deltar9.50 ± 0.30kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Quantity Value Units Method Reference Comment
Deltar4.37kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B

CH6N+ + Ethanol = (CH6N+ bullet Ethanol)

By formula: CH6N+ + C2H6O = (CH6N+ bullet C2H6O)

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

Quantity Value Units Method Reference Comment
Deltar21.3kcal/molPHPMSMeot-Ner, 1984gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar25.cal/mol*KN/AMeot-Ner, 1984gas phase; Entropy change calculated or estimated; M

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
8.9496.PHPMSMeot-Ner, 1984gas phase; Entropy change calculated or estimated; M

CN- + Ethanol = (CN- bullet Ethanol)

By formula: CN- + C2H6O = (CN- bullet C2H6O)

Quantity Value Units Method Reference Comment
Deltar17.4 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B,M
Deltar17.4 ± 3.5kcal/molIMRELarson and McMahon, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar22.5cal/mol*KPHPMSMeot-ner, 1988gas phase; M
Deltar24.5cal/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
Deltar10.7 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B
Deltar10.0 ± 2.3kcal/molIMRELarson and McMahon, 1987gas phase; B,M

MeCO2 anion + Ethanol = (MeCO2 anion bullet Ethanol)

By formula: C2H3O2- + C2H6O = (C2H3O2- bullet C2H6O)

Quantity Value Units Method Reference Comment
Deltar20.7 ± 1.0kcal/molN/AMeot-Ner and Sieck, 1986gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar29.2cal/mol*KPHPMSMeot-Ner and Sieck, 1986gas phase; M
Quantity Value Units Method Reference Comment
Deltar11.9 ± 1.6kcal/molTDAsMeot-Ner and Sieck, 1986gas phase; B

C2H4NO2- + Ethanol = C4H10NO3-

By formula: C2H4NO2- + C2H6O = C4H10NO3-

Quantity Value Units Method Reference Comment
Deltar17.57 ± 0.50kcal/molTDAsNieckarz, Atkins, et al., 2008gas phase; B
Quantity Value Units Method Reference Comment
Deltar9.8 ± 1.0kcal/molTDAsNieckarz, Atkins, et al., 2008gas phase; B

C2H5O+ + Ethanol = (C2H5O+ bullet Ethanol)

By formula: C2H5O+ + C2H6O = (C2H5O+ bullet C2H6O)

Bond type: Hydrogen bonds of the type OH-O between organics

Quantity Value Units Method Reference Comment
Deltar29.5kcal/molICRLarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Quantity Value Units Method Reference Comment
Deltar26.0cal/mol*KN/ALarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Quantity Value Units Method Reference Comment
Deltar21.7kcal/molICRLarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M

C2H5O- + Ethanol = (C2H5O- bullet Ethanol)

By formula: C2H5O- + C2H6O = (C2H5O- bullet C2H6O)

Quantity Value Units Method Reference Comment
Deltar27.6 ± 1.0kcal/molTDEqMeot-Ner and Sieck, 1986gas phase; B,M
Deltar28.1 ± 2.5kcal/molN/ACaldwell, Rozeboom, et al., 1984gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B,M
Quantity Value Units Method Reference Comment
Deltar26.8cal/mol*KPHPMSMeot-Ner and Sieck, 1986gas phase; M
Deltar29.3cal/mol*KN/ACaldwell, Rozeboom, et al., 1984gas phase; switching reaction(CH3O-)CH3OH; Entropy change calculated or estimated; re-evaluated using Meot-Ner(Mautner), 1986 and Paul and Kebarle, 1990; M
Quantity Value Units Method Reference Comment
Deltar19.6 ± 1.6kcal/molTDEqMeot-Ner and Sieck, 1986gas phase; B
Deltar19.0 ± 1.6kcal/molIMRECaldwell, Rozeboom, et al., 1984gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B,M
Deltar20.1kcal/molICRMcIver, Scott, et al., 1973gas phase; switching reaction(CH3O-)CH3OH, Entropy change calculated or estimated; Meot-Ner (Mautner), 1992; M

C2H6FO- + 2Ethanol = C4H12FO2-

By formula: C2H6FO- + 2C2H6O = C4H12FO2-

Quantity Value Units Method Reference Comment
Deltar20.60 ± 0.30kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Quantity Value Units Method Reference Comment
Deltar12.10kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B

C2H7O+ + Ethanol = (C2H7O+ bullet Ethanol)

By formula: C2H7O+ + C2H6O = (C2H7O+ bullet C2H6O)

Bond type: Hydrogen bonds of the type OH-O between organics

Quantity Value Units Method Reference Comment
Deltar32.0kcal/molICRLarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Deltar32.2kcal/molICRBomse and Beauchamp, 1981gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M
Quantity Value Units Method Reference Comment
Deltar28.5cal/mol*KN/ALarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Deltar28.5cal/mol*KN/ABomse and Beauchamp, 1981gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M
Quantity Value Units Method Reference Comment
Deltar23.5kcal/molICRLarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Deltar23.7kcal/molICRBomse and Beauchamp, 1981gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M

C3H7O- + Ethanol = (C3H7O- bullet Ethanol)

By formula: C3H7O- + C2H6O = (C3H7O- bullet C2H6O)

Quantity Value Units Method Reference Comment
Deltar27.4 ± 2.9kcal/molN/ACaldwell, Rozeboom, et al., 1984gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B,M
Quantity Value Units Method Reference Comment
Deltar29.3cal/mol*KN/ACaldwell, Rozeboom, et al., 1984gas phase; switching reaction(CH3O-)CH3OH, Entropy change calculated or estimated; re-evaluated using Meot-Ner(Mautner), 1986 and Paul and Kebarle, 1990; M
Quantity Value Units Method Reference Comment
Deltar18.7 ± 2.0kcal/molIMRECaldwell, Rozeboom, et al., 1984gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B,M

C3H9O+ + Ethanol = (C3H9O+ bullet Ethanol)

By formula: C3H9O+ + C2H6O = (C3H9O+ bullet C2H6O)

Bond type: Hydrogen bonds of the type OH-O between organics

Quantity Value Units Method Reference Comment
Deltar30.5kcal/molICRLarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Quantity Value Units Method Reference Comment
Deltar28.6cal/mol*KN/ALarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Quantity Value Units Method Reference Comment
Deltar22.0kcal/molICRLarson and McMahon, 1982gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M

C3H9O+ + Ethanol = (C3H9O+ bullet Ethanol)

By formula: C3H9O+ + C2H6O = (C3H9O+ bullet C2H6O)

Bond type: Hydrogen bonds of the type OH-O between organics

Quantity Value Units Method Reference Comment
Deltar31.9kcal/molICRBomse and Beauchamp, 1981gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M
Quantity Value Units Method Reference Comment
Deltar28.2cal/mol*KN/ABomse and Beauchamp, 1981gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M
Quantity Value Units Method Reference Comment
Deltar23.5kcal/molICRBomse and Beauchamp, 1981gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M

C3H9Si+ + Ethanol = (C3H9Si+ bullet Ethanol)

By formula: C3H9Si+ + C2H6O = (C3H9Si+ bullet C2H6O)

Quantity Value Units Method Reference Comment
Deltar42.0kcal/molPHPMSWojtyniak and Stone, 1986gas phase; switching reaction,Thermochemical ladder(CH3)3Si+))H2O, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar30.3cal/mol*KN/AWojtyniak and Stone, 1986gas phase; switching reaction,Thermochemical ladder(CH3)3Si+))H2O, Entropy change calculated or estimated; M

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
27.9468.PHPMSWojtyniak and Stone, 1986gas phase; switching reaction,Thermochemical ladder(CH3)3Si+))H2O, Entropy change calculated or estimated; M

C3H9Sn+ + Ethanol = (C3H9Sn+ bullet Ethanol)

By formula: C3H9Sn+ + C2H6O = (C3H9Sn+ bullet C2H6O)

Quantity Value Units Method Reference Comment
Deltar34.8kcal/molPHPMSStone and Splinter, 1984gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar32.2cal/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
17.9525.PHPMSStone and Splinter, 1984gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated; M

C4H9O- + Ethanol = (C4H9O- bullet Ethanol)

By formula: C4H9O- + C2H6O = (C4H9O- bullet C2H6O)

Quantity Value Units Method Reference Comment
Deltar26.6 ± 2.9kcal/molN/ACaldwell, Rozeboom, et al., 1984gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B,M
Quantity Value Units Method Reference Comment
Deltar29.3cal/mol*KN/ACaldwell, Rozeboom, et al., 1984gas phase; switching reaction(CH3O-)CH3OH, Entropy change calculated or estimated; re-evaluated using Meot-Ner(Mautner), 1986 and Paul and Kebarle, 1990; M
Quantity Value Units Method Reference Comment
Deltar17.9 ± 2.0kcal/molIMRECaldwell, Rozeboom, et al., 1984gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B,M

C4H12FO2- + 3Ethanol = C6H18FO3-

By formula: C4H12FO2- + 3C2H6O = C6H18FO3-

Quantity Value Units Method Reference Comment
Deltar15.60 ± 0.10kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Quantity Value Units Method Reference Comment
Deltar8.12kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B

C5H11O- + Ethanol = (C5H11O- bullet Ethanol)

By formula: C5H11O- + C2H6O = (C5H11O- bullet C2H6O)

Quantity Value Units Method Reference Comment
Deltar26.3 ± 2.9kcal/molN/ACaldwell, Rozeboom, et al., 1984gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B
Quantity Value Units Method Reference Comment
Deltar17.6 ± 2.0kcal/molIMRECaldwell, Rozeboom, et al., 1984gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B

phenoxide anion + Ethanol = (phenoxide anion bullet Ethanol)

By formula: C6H5O- + C2H6O = (C6H5O- bullet C2H6O)

Quantity Value Units Method Reference Comment
Deltar19.3kcal/molPHPMSMeot-Ner and Sieck, 1986gas phase; M
Quantity Value Units Method Reference Comment
Deltar27.0cal/mol*KPHPMSMeot-Ner and Sieck, 1986gas phase; M

phenoxide anion + Ethanol = C8H11O2-

By formula: C6H5O- + C2H6O = C8H11O2-

Quantity Value Units Method Reference Comment
Deltar19.3 ± 1.0kcal/molN/AMeot-Ner and Sieck, 1986gas phase; B
Quantity Value Units Method Reference Comment
Deltar11.2 ± 1.6kcal/molTDAsMeot-Ner and Sieck, 1986gas phase; B

Chlorine anion + Ethanol = (Chlorine anion bullet Ethanol)

By formula: Cl- + C2H6O = (Cl- bullet C2H6O)

Quantity Value Units Method Reference Comment
Deltar17.90 ± 0.40kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Deltar17.60 ± 0.50kcal/molTDAsHiraoka, 1987gas phase; B,B,M
Deltar17.3 ± 2.0kcal/molIMRELarson and McMahon, 1984gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar23.7cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Deltar23.1cal/mol*KN/ALarson and McMahon, 1984gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; Larson and McMahon, 1984, 2; M
Quantity Value Units Method Reference Comment
Deltar10.65kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Deltar10.5 ± 2.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B
Deltar10.5 ± 2.0kcal/molTDAsHiraoka, 1987gas phase; B
Deltar10.4 ± 2.0kcal/molIMRELarson and McMahon, 1984gas phase; B,M

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
10.0295.ICRRiveros, 1974gas phase; switching reaction(Cl-)CH3OH; Riveros, Breda, et al., 1973; M

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

By formula: (Cl- bullet C2H6O) + C2H6O = (Cl- bullet 2C2H6O)

Quantity Value Units Method Reference Comment
Deltar15.30 ± 0.20kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Deltar16.1 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar25.9cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
Deltar7.34kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Deltar8.3 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B

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

By formula: (Cl- bullet 2C2H6O) + C2H6O = (Cl- bullet 3C2H6O)

Quantity Value Units Method Reference Comment
Deltar13.90 ± 0.70kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Deltar12.8 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar25.8cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
Deltar5.16kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Deltar5.1 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B

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

By formula: (Cl- bullet 3C2H6O) + C2H6O = (Cl- bullet 4C2H6O)

Quantity Value Units Method Reference Comment
Deltar12.0 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar29.5cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
Deltar3.2 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B

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

By formula: (Cl- bullet 4C2H6O) + C2H6O = (Cl- bullet 5C2H6O)

Quantity Value Units Method Reference Comment
Deltar11.5 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar30.6cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
Deltar2.3 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B

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

By formula: (Cl- bullet 5C2H6O) + C2H6O = (Cl- bullet 6C2H6O)

Quantity Value Units Method Reference Comment
Deltar11.1 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar31.0cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
Deltar1.8 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B

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

By formula: (Cl- bullet 6C2H6O) + C2H6O = (Cl- bullet 7C2H6O)

Quantity Value Units Method Reference Comment
Deltar9.8 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar26.9cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
Deltar1.7 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B

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

By formula: (Cl- bullet 7C2H6O) + C2H6O = (Cl- bullet 8C2H6O)

Quantity Value Units Method Reference Comment
Deltar9.2 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar25.2cal/mol*KPHPMSHiraoka and Mizuse, 1987gas phase; M
Quantity Value Units Method Reference Comment
Deltar1.6 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B

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

By formula: (Cl- bullet 8C2H6O) + C2H6O = (Cl- bullet 9C2H6O)

Quantity Value Units Method Reference Comment
Deltar9.0 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; Estimated entropy; single temperature measurement; B,M
Quantity Value Units Method Reference Comment
Deltar25.cal/mol*KN/AHiraoka and Mizuse, 1987gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar1.5 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; Estimated entropy; single temperature measurement; B

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

By formula: (Cl- bullet 9C2H6O) + C2H6O = (Cl- bullet 10C2H6O)

Quantity Value Units Method Reference Comment
Deltar8.9 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; Estimated entropy; single temperature measurement; B,M
Quantity Value Units Method Reference Comment
Deltar25.cal/mol*KN/AHiraoka and Mizuse, 1987gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar1.4 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; Estimated entropy; single temperature measurement; B

Fluorine anion + Ethanol = C2H5D6FO-

By formula: F- + C2H6O = C2H5D6FO-

Quantity Value Units Method Reference Comment
Deltar23.7 ± 2.0kcal/molIMREWilkinson, Szulejko, et al., 1992gas phase; Reported relative to ROH..F-, 0.5 kcal/mol weaker.; B

Fluorine anion + Ethanol = (Fluorine anion bullet Ethanol)

By formula: F- + C2H6O = (F- bullet C2H6O)

Quantity Value Units Method Reference Comment
Deltar32.40 ± 0.70kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Deltar31.5 ± 2.0kcal/molIMRELarson and McMahon, 1983gas phase; B,M
Deltar32.5 ± 2.2kcal/molCIDTDeTuri and Ervin, 1999gas phase; B
Quantity Value Units Method Reference Comment
Deltar24.9cal/mol*KN/ALarson and McMahon, 1983gas phase; switching reaction(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M
Quantity Value Units Method Reference Comment
Deltar24.74kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Deltar24.1 ± 2.0kcal/molIMRELarson and McMahon, 1983gas phase; B,M

HS- + Ethanol = (HS- bullet Ethanol)

By formula: HS- + C2H6O = (HS- bullet C2H6O)

Quantity Value Units Method Reference Comment
Deltar16.30 ± 0.10kcal/molTDAsSieck and Meot-ner, 1989gas phase; B,M
Deltar16.2 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar19.0cal/mol*KPHPMSSieck and Meot-ner, 1989gas phase; M
Deltar19.8cal/mol*KPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar10.60 ± 0.40kcal/molTDAsSieck and Meot-ner, 1989gas phase; B
Deltar10.3 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B

Iodide + Ethanol = (Iodide bullet Ethanol)

By formula: I- + C2H6O = (I- bullet C2H6O)

Quantity Value Units Method Reference Comment
Deltar13.00 ± 0.20kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Deltar12.1 ± 1.0kcal/molTDAsCaldwell and Kebarle, 1984gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar18.9cal/mol*KPHPMSCaldwell and Kebarle, 1984gas phase; M
Quantity Value Units Method Reference Comment
Deltar6.11kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Deltar6.4 ± 1.0kcal/molTDAsCaldwell and Kebarle, 1984gas phase; B
Deltar6.0 ± 2.0kcal/molIMRETanabe, Morgon, et al., 1996gas phase; Anchored to H2O..I- of Caldwell and Kebarle, 1984; B

Iodide + 2Ethanol = C4H12IO2-

By formula: I- + 2C2H6O = C4H12IO2-

Quantity Value Units Method Reference Comment
Deltar10.50 ± 0.20kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Quantity Value Units Method Reference Comment
Deltar4.42kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B

Iodide + 3Ethanol = C6H18IO3-

By formula: I- + 3C2H6O = C6H18IO3-

Quantity Value Units Method Reference Comment
Deltar8.40 ± 0.50kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B
Quantity Value Units Method Reference Comment
Deltar3.51kcal/molTDAsBogdanov, Peschke, et al., 1999gas phase; B

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

By formula: Li+ + C2H6O = (Li+ bullet C2H6O)

Quantity Value Units Method Reference Comment
Deltar39.2 ± 1.9kcal/molCIDTRodgers and Armentrout, 2000RCD

Magnesium ion (1+) + Ethanol = (Magnesium ion (1+) bullet Ethanol)

By formula: Mg+ + C2H6O = (Mg+ bullet C2H6O)

Quantity Value Units Method Reference Comment
Deltar63. ± 5.kcal/molICROperti, Tews, et al., 1988gas phase; switching reaction,Thermochemical ladder(Mg+)CH3OH; M

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

By formula: Na+ + C2H6O = (Na+ bullet C2H6O)

Quantity Value Units Method Reference Comment
Deltar26.3 ± 1.3kcal/molCIDCAmicangelo and Armentrout, 2001Anchor NH3=24.41; RCD
Deltar24.4 ± 0.9kcal/molCIDTArmentrout and Rodgers, 2000RCD
Deltar24.4 ± 0.9kcal/molCIDTRodgers and Armentrout, 1999RCD

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
19.0298.IMREMcMahon and Ohanessian, 2000Anchor alanine=39.89; RCD
0.00.CIDTRodgers and Armentrout, 1999RCD

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

By formula: (Na+ bullet C2H6O) + C2H6O = (Na+ bullet 2C2H6O)

Quantity Value Units Method Reference Comment
Deltar23.7 ± 1.6kcal/molCIDCAmicangelo and Armentrout, 2001Anchor NH3=24.41; RCD
Deltar23.1 ± 1.1kcal/molCIDCAmicangelo and Armentrout, 2001Anchor NH3=24.41; RCD
Deltar23.7 ± 1.6kcal/molCIDCAmicangelo and Armentrout, 2001Anchor NH3=24.41; RCD
Deltar23.3 ± 1.4kcal/molCIDCAmicangelo and Armentrout, 2001Anchor NH3=24.41; RCD

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.

Bogdanov, Peschke, et al., 1999
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Meot-Ner, 1984
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Meot-ner, 1988
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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 and Sieck, 1986
Meot-Ner, M.; Sieck, L.W., The ionic hydrogen bond and ion solvation. 5. OH...O- bonds. Gas phase solvation and clustering of alkoxide and carboxylate anions, J. Am. Chem. Soc., 1986, 108, 7525. [all data]

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Larson and McMahon, 1982
Larson, J.W.; McMahon, T.B., Formation, Thermochemistry, and Relative Stabilities of Proton - Bound dimers of Oxygen n - Donor Bases from Ion Cyclotron Resonance Solvent - Exchange Equilibria Measurements, J. Am. Chem. Soc., 1982, 104, 23, 6255, https://doi.org/10.1021/ja00387a016 . [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]

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Meot-ner and Sieck, 1986
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Meot-Ner(Mautner), 1986
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McIver, Scott, et al., 1973
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Wojtyniak and Stone, 1986
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Stone and Splinter, 1984
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Sieck and Meot-ner, 1989
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Caldwell and Kebarle, 1984
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Rodgers and Armentrout, 2000
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Operti, L.; Tews, E.C.; Freiser, B.S., Determination of Gas-Phase Ligand Binding Energies to Mg+ by FTMS Techniques, J. Am. Chem. Soc., 1988, 110, 12, 3847, https://doi.org/10.1021/ja00220a020 . [all data]

Amicangelo and Armentrout, 2001
Amicangelo, J.C.; Armentrout, P.B., Relative and Absolute Bond Dissociation Energies of Sodium Cation Complexes Determined Using Competitive Collision-Induced Dissociation Experiments, Int. J. Mass Spectrom., 2001, 212, 1-3, 301, https://doi.org/10.1016/S1387-3806(01)00494-8 . [all data]

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Rodgers and Armentrout, 1999
Rodgers, M.T.; Armentrout, P.B., Absolute Binding Energies of Sodium Ions to Short-Chain Alcohols, CnH2n+2O, n=1-4, Determined by Threshold Collision-Induced Dissociation Experiments and Ab Initio Theory, 1999, 4955. [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]


Notes

Go To: Top, Ion clustering data, References