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Acetone

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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:
RCD - Robert C. Dunbar
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
B - John E. Bartmess

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

By formula: Ag+ + C3H6O = (Ag+ bullet C3H6O)

Quantity Value Units Method Reference Comment
Deltar38.2 ± 4.5kcal/molRAKHo, Yang, et al., 1997RCD

(Aluminum ion (1+) bullet Acetone) + Acetone = (Aluminum ion (1+) bullet 2Acetone)

By formula: (Al+ bullet C3H6O) + C3H6O = (Al+ bullet 2C3H6O)

Quantity Value Units Method Reference Comment
Deltar28.3kcal/molHPMSBauschlicher, Bouchard, et al., 1991gas phase; laser desorption; M
Quantity Value Units Method Reference Comment
Deltar30.7cal/mol*KHPMSBauschlicher, Bouchard, et al., 1991gas phase; laser desorption; M

CH6N+ + Acetone = (CH6N+ bullet Acetone)

By formula: CH6N+ + C3H6O = (CH6N+ bullet C3H6O)

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

Quantity Value Units Method Reference Comment
Deltar24.0kcal/molPHPMSMeot-Ner, 1984gas phase; M
Quantity Value Units Method Reference Comment
Deltar23.2cal/mol*KPHPMSMeot-Ner, 1984gas phase; M

CN- + Acetone = (CN- bullet Acetone)

By formula: CN- + C3H6O = (CN- bullet C3H6O)

Quantity Value Units Method Reference Comment
Deltar14.7 ± 3.5kcal/molIMRELarson and McMahon, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar22.5cal/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
Deltar8.0 ± 2.3kcal/molIMRELarson and McMahon, 1987gas phase; B,M

C2H3O+ + Acetone = (C2H3O+ bullet Acetone)

By formula: C2H3O+ + C3H6O = (C2H3O+ bullet C3H6O)

Quantity Value Units Method Reference Comment
Deltar12.5kcal/molPITrott, Blais, et al., 1978gas phase; M

MeCO2 anion + Acetone = (MeCO2 anion bullet Acetone)

By formula: C2H3O2- + C3H6O = (C2H3O2- bullet C3H6O)

Bond type: Hydrogen bonds of deprotonated acids to ketones/

Quantity Value Units Method Reference Comment
Deltar15.7 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar21.9cal/mol*KPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar9.1 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B

(MeCO2 anion bullet Acetone) + Acetone = (MeCO2 anion bullet 2Acetone)

By formula: (C2H3O2- bullet C3H6O) + C3H6O = (C2H3O2- bullet 2C3H6O)

Bond type: Hydrogen bonds of deprotonated acids to ketones/

Quantity Value Units Method Reference Comment
Deltar10.8kcal/molPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar17.9cal/mol*KPHPMSMeot-ner, 1988gas phase; M

C2H7OS+ + Acetone = (C2H7OS+ bullet Acetone)

By formula: C2H7OS+ + C3H6O = (C2H7OS+ bullet C3H6O)

Quantity Value Units Method Reference Comment
Deltar24.1kcal/molPHPMSLau, Saluja, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Deltar24.5cal/mol*KPHPMSLau, Saluja, et al., 1980gas phase; M

C3H5O+ + Acetone = (C3H5O+ bullet Acetone)

By formula: C3H5O+ + C3H6O = (C3H5O+ bullet C3H6O)

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
8.3295.FAMackay, Rakshit, et al., 1982gas phase; M

C3H5O- + Acetone = (C3H5O- bullet Acetone)

By formula: C3H5O- + C3H6O = (C3H5O- bullet C3H6O)

Quantity Value Units Method Reference Comment
Deltar>25.90kcal/molIMRBSheldon and Bowie, 1983gas phase; MeOH..F- + Me2CO ->; B
Quantity Value Units Method Reference Comment
Deltar>19.70kcal/molIMRBSheldon and Bowie, 1983gas phase; MeOH..F- + Me2CO ->; B

C3H6O+ + Acetone = (C3H6O+ bullet Acetone)

By formula: C3H6O+ + C3H6O = (C3H6O+ bullet C3H6O)

Quantity Value Units Method Reference Comment
Deltar12.4kcal/molPITrott, Blais, et al., 1978gas phase; «DELTA»rH>; M

C3H7O+ + Acetone = (C3H7O+ bullet Acetone)

By formula: C3H7O+ + C3H6O = (C3H7O+ bullet C3H6O)

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

Quantity Value Units Method Reference Comment
Deltar30.7kcal/molPHPMSMeot-Ner (Mautner) and Sieck, 1991gas phase; M
Deltar30.0kcal/molPHPMSSzulejko and McMahon, 1991gas phase; M
Deltar29.6kcal/molPHPMSHiraoka and Takimoto, 1986gas phase; M
Deltar31.5kcal/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
Deltar30.1kcal/molPHPMSLau, Saluja, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Deltar28.2cal/mol*KPHPMSMeot-Ner (Mautner) and Sieck, 1991gas phase; M
Deltar30.6cal/mol*KPHPMSSzulejko and McMahon, 1991gas phase; M
Deltar29.3cal/mol*KPHPMSHiraoka and Takimoto, 1986gas phase; M
Deltar30.9cal/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
Deltar30.4cal/mol*KPHPMSLau, Saluja, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Deltar22.3kcal/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

(C3H7O+ bullet Acetone) + Acetone = (C3H7O+ bullet 2Acetone)

By formula: (C3H7O+ bullet C3H6O) + C3H6O = (C3H7O+ bullet 2C3H6O)

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

Quantity Value Units Method Reference Comment
Deltar12.2kcal/molPHPMSHiraoka, Morise, et al., 1986gas phase; M
Quantity Value Units Method Reference Comment
Deltar23.0cal/mol*KPHPMSHiraoka, Morise, et al., 1986gas phase; M

(C3H7O+ bullet 2Acetone) + Acetone = (C3H7O+ bullet 3Acetone)

By formula: (C3H7O+ bullet 2C3H6O) + C3H6O = (C3H7O+ bullet 3C3H6O)

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

Quantity Value Units Method Reference Comment
Deltar8.5kcal/molPHPMSHiraoka, Takimoto, et al., 1986gas phase; M
Quantity Value Units Method Reference Comment
Deltar17.0cal/mol*KPHPMSHiraoka, Takimoto, et al., 1986gas phase; M

C3H7O2+ + Acetone = (C3H7O2+ bullet Acetone)

By formula: C3H7O2+ + C3H6O = (C3H7O2+ bullet C3H6O)

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

Quantity Value Units Method Reference Comment
Deltar30.0kcal/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
Quantity Value Units Method Reference Comment
Deltar29.0cal/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
Deltar21.4kcal/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

C3H9Si+ + Acetone = (C3H9Si+ bullet Acetone)

By formula: C3H9Si+ + C3H6O = (C3H9Si+ bullet C3H6O)

Quantity Value Units Method Reference Comment
Deltar45.0kcal/molPHPMSWojtyniak and Stone, 1986gas phase; switching reaction,Thermochemical ladder((CH3)3Si+)H2O, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar29.4cal/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
31.2468.PHPMSWojtyniak and Stone, 1986gas phase; switching reaction,Thermochemical ladder((CH3)3Si+)H2O, Entropy change calculated or estimated; M

C3H9Sn+ + Acetone = (C3H9Sn+ bullet Acetone)

By formula: C3H9Sn+ + C3H6O = (C3H9Sn+ bullet C3H6O)

Quantity Value Units Method Reference Comment
Deltar37.4kcal/molPHPMSStone and Splinter, 1984gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar30.9cal/mol*KN/AStone and Splinter, 1984gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar21.2kcal/molPHPMSStone and Splinter, 1984gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated; M

pyrrolide anion + Acetone = (pyrrolide anion bullet Acetone)

By formula: C4H4N- + C3H6O = (C4H4N- bullet C3H6O)

Quantity Value Units Method Reference Comment
Deltar13.1 ± 1.0kcal/molTDAsMeot-ner, 1988, 2gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar20.5cal/mol*KPHPMSMeot-ner, 1988, 2gas phase; M
Quantity Value Units Method Reference Comment
Deltar7.0 ± 1.0kcal/molTDAsMeot-ner, 1988, 2gas phase; B

(pyrrolide anion bullet Acetone) + Acetone = (pyrrolide anion bullet 2Acetone)

By formula: (C4H4N- bullet C3H6O) + C3H6O = (C4H4N- bullet 2C3H6O)

Quantity Value Units Method Reference Comment
Deltar10.7kcal/molPHPMSMeot-ner, 1988, 2gas phase; M
Quantity Value Units Method Reference Comment
Deltar19.0cal/mol*KPHPMSMeot-ner, 1988, 2gas phase; M

C4H9O+ + Acetone = (C4H9O+ bullet Acetone)

By formula: C4H9O+ + C3H6O = (C4H9O+ bullet C3H6O)

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

Quantity Value Units Method Reference Comment
Deltar31.0kcal/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
Quantity Value Units Method Reference Comment
Deltar30.6cal/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
Deltar21.9kcal/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

C4H9O+ + Acetone = (C4H9O+ bullet Acetone)

By formula: C4H9O+ + C3H6O = (C4H9O+ bullet C3H6O)

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

Quantity Value Units Method Reference Comment
Deltar29.4kcal/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
Deltar29.1cal/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
Deltar20.7kcal/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

cyclopentadienide anion + Acetone = (cyclopentadienide anion bullet Acetone)

By formula: C5H5- + C3H6O = (C5H5- bullet C3H6O)

Quantity Value Units Method Reference Comment
Deltar13.5 ± 1.0kcal/molTDAsMeot-ner, 1988, 2gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar21.8cal/mol*KPHPMSMeot-ner, 1988, 2gas phase; M
Quantity Value Units Method Reference Comment
Deltar7.0 ± 1.0kcal/molTDAsMeot-ner, 1988, 2gas phase; B

(cyclopentadienide anion bullet Acetone) + Acetone = (cyclopentadienide anion bullet 2Acetone)

By formula: (C5H5- bullet C3H6O) + C3H6O = (C5H5- bullet 2C3H6O)

Quantity Value Units Method Reference Comment
Deltar9.8kcal/molPHPMSMeot-ner, 1988, 2gas phase; M
Quantity Value Units Method Reference Comment
Deltar16.4cal/mol*KPHPMSMeot-ner, 1988, 2gas phase; M

C5H11O+ + Acetone = (C5H11O+ bullet Acetone)

By formula: C5H11O+ + C3H6O = (C5H11O+ bullet C3H6O)

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

Quantity Value Units Method Reference Comment
Deltar28.5kcal/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
Deltar29.0cal/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
Deltar19.9kcal/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

C6H5NO2- + Acetone = (C6H5NO2- bullet Acetone)

By formula: C6H5NO2- + C3H6O = (C6H5NO2- bullet C3H6O)

Quantity Value Units Method Reference Comment
Deltar14.20 ± 0.20kcal/molTDAsSieck, 1985gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar26.3cal/mol*KPHPMSSieck, 1985gas phase; M
Quantity Value Units Method Reference Comment
Deltar6.40 ± 0.40kcal/molTDAsSieck, 1985gas phase; B

Chlorine anion + Acetone = (Chlorine anion bullet Acetone)

By formula: Cl- + C3H6O = (Cl- bullet C3H6O)

Quantity Value Units Method Reference Comment
Deltar14. ± 2.kcal/molAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Deltar18.2cal/mol*KPHPMSSieck, 1985gas phase; M
Deltar19.6cal/mol*KPHPMSFrench, Ikuta, et al., 1982gas phase; M
Deltar17.1cal/mol*KPHPMSHiraoka, Takimoto, et al., 1986gas phase; M
Deltar19.7cal/mol*KN/ALarson and McMahon, 1984gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; French, Ikuta, et al., 1982; M
Quantity Value Units Method Reference Comment
Deltar8.08 ± 0.20kcal/molTDAsBofdanov and McMahon, 2002gas phase; B
Deltar7.30kcal/molTDAsHiraoka, Morise, et al., 1986gas phase; B
Deltar8.80 ± 0.30kcal/molTDAsSieck, 1985gas phase; B
Deltar8.2 ± 2.0kcal/molIMRELarson and McMahon, 1984, 2gas phase; B,M
Deltar7.9 ± 2.0kcal/molTDAsFrench, Ikuta, et al., 1982gas phase; B

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

By formula: (Cl- bullet C3H6O) + C3H6O = (Cl- bullet 2C3H6O)

Quantity Value Units Method Reference Comment
Deltar11.5 ± 1.0kcal/molTDAsHiraoka, Takimoto, et al., 1986gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar20.3cal/mol*KPHPMSHiraoka, Takimoto, et al., 1986gas phase; M
Quantity Value Units Method Reference Comment
Deltar5.4 ± 2.2kcal/molTDAsHiraoka, Takimoto, et al., 1986gas phase; B

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

By formula: (Cl- bullet 2C3H6O) + C3H6O = (Cl- bullet 3C3H6O)

Quantity Value Units Method Reference Comment
Deltar10.4 ± 2.0kcal/molTDAsHiraoka, Takimoto, et al., 1986gas phase; Entropy estimated; B,M
Quantity Value Units Method Reference Comment
Deltar22.cal/mol*KN/AHiraoka, Takimoto, et al., 1986gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar3.8 ± 4.5kcal/molTDAsHiraoka, Takimoto, et al., 1986gas phase; Entropy estimated; B

Chromium ion (1+) + Acetone = (Chromium ion (1+) bullet Acetone)

By formula: Cr+ + C3H6O = (Cr+ bullet C3H6O)

Quantity Value Units Method Reference Comment
Deltar41.8 ± 3.3kcal/molRAKLin, Chen, et al., 1997RCD

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

By formula: Cu+ + C3H6O = (Cu+ bullet C3H6O)

Quantity Value Units Method Reference Comment
Deltar47.5 ± 1.0kcal/molCIDTChu, 2002RCD
Deltar14.9kcal/molHPMSEl-Shall, Schriver, et al., 1989gas phase; Entropy change calculated or estimated, Cu+ from laser desorption; M
Quantity Value Units Method Reference Comment
Deltar25.cal/mol*KN/AEl-Shall, Schriver, et al., 1989gas phase; Entropy change calculated or estimated, Cu+ from laser desorption; M
Quantity Value Units Method Reference Comment
Deltar7.4kcal/molHPMSEl-Shall, Schriver, et al., 1989gas phase; Entropy change calculated or estimated, Cu+ from laser desorption; M

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

By formula: (Cu+ bullet C3H6O) + C3H6O = (Cu+ bullet 2C3H6O)

Quantity Value Units Method Reference Comment
Deltar50.2 ± 1.7kcal/molCIDTChu, 2002RCD
Deltar15.5kcal/molHPMSEl-Shall, Schriver, et al., 1989gas phase; Entropy change calculated or estimated, Cu+ from laser desorption; M
Quantity Value Units Method Reference Comment
Deltar25.cal/mol*KN/AEl-Shall, Schriver, et al., 1989gas phase; Entropy change calculated or estimated, Cu+ from laser desorption; M
Quantity Value Units Method Reference Comment
Deltar8.0kcal/molHPMSEl-Shall, Schriver, et al., 1989gas phase; Entropy change calculated or estimated, Cu+ from laser desorption; M

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

By formula: (Cu+ bullet 2C3H6O) + C3H6O = (Cu+ bullet 3C3H6O)

Quantity Value Units Method Reference Comment
Deltar15.3 ± 0.5kcal/molCIDTChu, 2002RCD

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

By formula: (Cu+ bullet 3C3H6O) + C3H6O = (Cu+ bullet 4C3H6O)

Quantity Value Units Method Reference Comment
Deltar14.6 ± 1.2kcal/molCIDTChu, 2002RCD

NH4+ + Acetone = (NH4+ bullet Acetone)

By formula: H4N+ + C3H6O = (H4N+ bullet C3H6O)

Quantity Value Units Method Reference Comment
Deltar28.3kcal/molPHPMSMeot-Ner (Mautner), Sieck, et al., 1996gas phase; M
Quantity Value Units Method Reference Comment
Deltar26.4cal/mol*KPHPMSMeot-Ner (Mautner), Sieck, et al., 1996gas phase; M

(NH4+ bullet Acetone) + Acetone = (NH4+ bullet 2Acetone)

By formula: (H4N+ bullet C3H6O) + C3H6O = (H4N+ bullet 2C3H6O)

Quantity Value Units Method Reference Comment
Deltar20.3kcal/molPHPMSMeot-Ner (Mautner), Sieck, et al., 1996gas phase; M
Quantity Value Units Method Reference Comment
Deltar24.9cal/mol*KPHPMSMeot-Ner (Mautner), Sieck, et al., 1996gas phase; M

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

By formula: (H4N+ bullet 2C3H6O) + C3H6O = (H4N+ bullet 3C3H6O)

Quantity Value Units Method Reference Comment
Deltar15.8kcal/molPHPMSMeot-Ner (Mautner), Sieck, et al., 1996gas phase; M
Quantity Value Units Method Reference Comment
Deltar26.0cal/mol*KPHPMSMeot-Ner (Mautner), Sieck, et al., 1996gas phase; M

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

By formula: (H4N+ bullet 3C3H6O) + C3H6O = (H4N+ bullet 4C3H6O)

Quantity Value Units Method Reference Comment
Deltar13.1kcal/molPHPMSMeot-Ner (Mautner), Sieck, et al., 1996gas phase; M
Quantity Value Units Method Reference Comment
Deltar24.4cal/mol*KPHPMSMeot-Ner (Mautner), Sieck, et al., 1996gas phase; M

(NH4+ bullet 4Acetone) + Acetone = (NH4+ bullet 5Acetone)

By formula: (H4N+ bullet 4C3H6O) + C3H6O = (H4N+ bullet 5C3H6O)

Quantity Value Units Method Reference Comment
Deltar10.1kcal/molPHPMSMeot-Ner (Mautner), Sieck, et al., 1996gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar24.0cal/mol*KN/AMeot-Ner (Mautner), Sieck, et al., 1996gas phase; Entropy change calculated or estimated; M

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
4.5215.PHPMSMeot-Ner (Mautner), Sieck, et al., 1996gas phase; Entropy change calculated or estimated; M

Iodide + Acetone = (Iodide bullet Acetone)

By formula: I- + C3H6O = (I- bullet C3H6O)

Quantity Value Units Method Reference Comment
Deltar12.0 ± 1.0kcal/molTDAsCaldwell, Masucci, et al., 1989gas phase; B,M

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

By formula: K+ + C3H6O = (K+ bullet C3H6O)

Quantity Value Units Method Reference Comment
Deltar24.4kcal/molCIDTKlassen, Anderson, et al., 1996RCD
Deltar26.kcal/molHPMSSunner, 1984gas phase; M
Quantity Value Units Method Reference Comment
Deltar24.cal/mol*KHPMSSunner, 1984gas phase; M

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

By formula: (K+ bullet C3H6O) + C3H6O = (K+ bullet 2C3H6O)

Quantity Value Units Method Reference Comment
Deltar21.kcal/molHPMSSunner, 1984gas phase; M
Quantity Value Units Method Reference Comment
Deltar26.cal/mol*KHPMSSunner, 1984gas phase; M

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

By formula: (K+ bullet 2C3H6O) + C3H6O = (K+ bullet 3C3H6O)

Quantity Value Units Method Reference Comment
Deltar16.kcal/molHPMSSunner, 1984gas phase; M
Quantity Value Units Method Reference Comment
Deltar24.cal/mol*KHPMSSunner, 1984gas phase; M

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
9.2293.ES/HPMSBlades, Klassen, et al., 1995gas phase; M

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

By formula: (K+ bullet 3C3H6O) + C3H6O = (K+ bullet 4C3H6O)

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
6.0293.ES/HPMSBlades, Klassen, et al., 1995gas phase; M

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

By formula: Li+ + C3H6O = (Li+ bullet C3H6O)

Quantity Value Units Method Reference Comment
Deltar44.5kcal/molICRStaley and Beauchamp, 1975gas phase; switching reaction(Li+)H2O, from graph; Dzidic and Kebarle, 1970 extrapolated; M

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

By formula: Mg+ + C3H6O = (Mg+ bullet C3H6O)

Quantity Value Units Method Reference Comment
Deltar67. ± 5.kcal/molICROperti, Tews, et al., 1988gas phase; switching reaction,Thermochemical ladder(Mg+)CH3OH; M

Manganese ion (1+) + Acetone = (Manganese ion (1+) bullet Acetone)

By formula: Mn+ + C3H6O = (Mn+ bullet C3H6O)

Quantity Value Units Method Reference Comment
Deltar38.0 ± 3.3kcal/molRAKLin, Chen, et al., 1997RCD

Nitric oxide anion + Acetone = (Nitric oxide anion bullet Acetone)

By formula: NO- + C3H6O = (NO- bullet C3H6O)

Quantity Value Units Method Reference Comment
Deltar41.0kcal/molICRReents and Freiser, 1981gas phase; switching reaction,Thermochemical ladder(NO+)C2H5OH, Entropy change calculated or estimated; Farid and McMahon, 1978; M

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

By formula: NO2- + C3H6O = (NO2- bullet C3H6O)

Quantity Value Units Method Reference Comment
Deltar15.90 ± 0.10kcal/molTDAsSieck, 1985gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar25.9cal/mol*KPHPMSSieck, 1985gas phase; M
Quantity Value Units Method Reference Comment
Deltar8.20 ± 0.20kcal/molTDAsSieck, 1985gas phase; B

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

By formula: Na+ + C3H6O = (Na+ bullet C3H6O)

Quantity Value Units Method Reference Comment
Deltar31.2 ± 1.0kcal/molCIDTArmentrout and Rodgers, 2000RCD
Deltar30.8 ± 0.5kcal/molHPMSHoyau, Norrman, et al., 1999See 96KLA/AND?; RCD
Deltar24.4kcal/molCIDTKlassen, Anderson, et al., 1996RCD
Deltar33.4 ± 0.2kcal/molHPMSGuo, Conklin, et al., 1989gas phase; M
Quantity Value Units Method Reference Comment
Deltar21000.cal/mol*KHPMSHoyau, Norrman, et al., 1999See 96KLA/AND?; RCD
Deltar26.1cal/mol*KHPMSGuo, Conklin, et al., 1989gas phase; M

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
24.1298.IMREMcMahon and Ohanessian, 2000Anchor alanine=39.89; RCD

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

By formula: (Na+ bullet C3H6O) + C3H6O = (Na+ bullet 2C3H6O)

Quantity Value Units Method Reference Comment
Deltar25.2 ± 0.1kcal/molHPMSGuo, Conklin, et al., 1989gas phase; M
Quantity Value Units Method Reference Comment
Deltar24.6cal/mol*KHPMSGuo, Conklin, et al., 1989gas phase; M

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

By formula: (Na+ bullet 2C3H6O) + C3H6O = (Na+ bullet 3C3H6O)

Quantity Value Units Method Reference Comment
Deltar20.7 ± 0.2kcal/molHPMSGuo, Conklin, et al., 1989gas phase; M
Quantity Value Units Method Reference Comment
Deltar30.0cal/mol*KHPMSGuo, Conklin, et al., 1989gas phase; M

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

By formula: (Na+ bullet 3C3H6O) + C3H6O = (Na+ bullet 4C3H6O)

Quantity Value Units Method Reference Comment
Deltar14.7 ± 0.2kcal/molHPMSGuo, Conklin, et al., 1989gas phase; M
Quantity Value Units Method Reference Comment
Deltar27.3cal/mol*KHPMSGuo, Conklin, et al., 1989gas phase; 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.

Ho, Yang, et al., 1997
Ho, Y.-P.; Yang, Y.-C.; Klippenstein, S.J.; Dunbar, R.C., Binding Energies of Ag+ and Cd+ Complexes from Analysis of Radiative Association Kinetics, J. Phys. Chem. A, 1997, 101, 18, 3338, https://doi.org/10.1021/jp9637284 . [all data]

Bauschlicher, Bouchard, et al., 1991
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Meot-Ner, 1984
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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]

Trott, Blais, et al., 1978
Trott, W.M.; Blais, N.C.; Walters, E.A., Molecular beam photoionization study of acetone and acetone-d6, J. Chem. Phys., 1978, 69, 3150. [all data]

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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]

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Lau, Y.K.; Saluja, P.P.S.; Kebarle, P., The Proton in Dimethyl Sulfoxide and Acetone. Results from Gas - Phase Ion Equilibria Involving (Me2SO)nH+ and (Me2CO)nH+, J. Am. Chem. Soc., 1980, 102, 25, 7429, https://doi.org/10.1021/ja00545a004 . [all data]

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Sheldon, J.C.; Bowie, J.H., The Reactions of {F-..HOMe} and {MeCO2-..HF} Negative Ions with Acetaldehyde and Acetone., Aust. J. Chem., 1983, 36, 2, 289, https://doi.org/10.1071/CH9830289 . [all data]

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Meot-Ner (Mautner), M.; Sieck, L.W., Proton affinity ladders from variable-temperature equilibrium measurements. 1. A reevaluation of the upper proton affinity range, J. Am. Chem. Soc., 1991, 113, 12, 4448, https://doi.org/10.1021/ja00012a012 . [all data]

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Szulejko, J.E.; McMahon, T.B., A Pulsed Electron Beam, Variable Temperature, High Pressure Mass Spectrometric Reevaluation of the Proton Affinity Difference Between 2-Methylpropene and Ammonia, Int. J. Mass Spectrom. Ion Proc., 1991, 109, 279, https://doi.org/10.1016/0168-1176(91)85109-Y . [all data]

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Klassen, Anderson, et al., 1996
Klassen, J.S.; Anderson, S.G.; Blades, A.T.; Kebarle, P., Reaction Enthalpies for M+L = M+ + L, Where M+ = Na+ and K+ and L = Acetamide, N-Methylacetamide, N,N-Dimethylacetamide, Glycine, and Glycylglycine, from Determinations of the Collision-Induced Dissociation Thresholds, J. Phys. Chem., 1996, 100, 33, 14218, https://doi.org/10.1021/jp9608382 . [all data]

Sunner, 1984
Sunner, J. Kebarle, Ion - Solvent Molecule Interactions in the Gas Phase. The Potassium Ion and Me2SO, DMA, DMF, and Acetone, J. Am. Chem. Soc., 1984, 106, 21, 6135, https://doi.org/10.1021/ja00333a002 . [all data]

Blades, Klassen, et al., 1995
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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]

Operti, Tews, et al., 1988
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]

Reents and Freiser, 1981
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Farid and McMahon, 1978
Farid, R.; McMahon, T.B., Gas-Phase Ion-Molecule Reactions of Alkyl Nitrites by Ion Cyclotron Resonance Spectroscopy, Int. J. Mass Spectrom. Ion Phys., 1978, 27, 2, 163, https://doi.org/10.1016/0020-7381(78)80037-0 . [all data]

Armentrout and Rodgers, 2000
Armentrout, P.B.; Rodgers, M.T., An Absolute Sodium Cation Affinity Scale: Threshold Collision-Induced Dissociation Experiments and ab Initio Theory, J. Phys. Chem A, 2000, 104, 11, 2238, https://doi.org/10.1021/jp991716n . [all data]

Hoyau, Norrman, et al., 1999
Hoyau, S.; Norrman, K.; McMahon, T.B.; Ohanessian, G., A Quantitative Basis for a Scale of Na+ Affinities of Organic and Small Biological Molecules in the Gas Phase, J. Am. Chem. Soc., 1999, 121, 38, 8864, https://doi.org/10.1021/ja9841198 . [all data]

Guo, Conklin, et al., 1989
Guo, B.C.; Conklin, B.J.; Castleman, A.W., Thermochemical Properties of Ion Complexes Na+(M)n in the Gas Phase, J. Am. Chem. Soc., 1989, 111, 17, 6506, https://doi.org/10.1021/ja00199a005 . [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