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Benzene

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Reaction thermochemistry 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. 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 + Benzene = (Chlorine anion bullet Benzene)

By formula: Cl- + C6H6 = (Cl- bullet C6H6)

Quantity Value Units Method Reference Comment
Deltar6.00 ± 0.46kcal/molN/ATschurl, Ueberfluss, et al., 2007gas phase; B
Deltar9.4 ± 2.0kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Deltar9.90kcal/molIMRELarson and McMahon, 1984gas phase; B,M
Deltar8.7kcal/molPHPMSPaul and Kebarle, 1991gas phase; from Ph. D. thesis of S. Chowdhury, Entropy change calculated or estimated; M
Deltar10.4kcal/molPHPMSSunner, Nishizawa, et al., 1981gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar17.9cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Deltar17.cal/mol*KN/APaul and Kebarle, 1991gas phase; from Ph. D. thesis of S. Chowdhury, Entropy change calculated or estimated; M
Deltar17.1cal/mol*KN/ALarson and McMahon, 1984, 2gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; French, Ikuta, et al., 1982; M
Deltar22.cal/mol*KN/ASunner, Nishizawa, et al., 1981gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar4.0 ± 2.6kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B
Deltar3.8 ± 1.6kcal/molIMREChowdhury and Kebarle, 1986gas phase; B
Deltar4.8 ± 2.0kcal/molIMRELarson and McMahon, 1984gas phase; B,M
Deltar3.80kcal/molIMREFrench, Ikuta, et al., 1982gas phase; B

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
3.6300.PHPMSPaul and Kebarle, 1991gas phase; from Ph. D. thesis of S. Chowdhury, Entropy change calculated or estimated; M
3.8300.PHPMSChowdhury and Kebarle, 1986gas phase; M
3.8300.PHPMSSunner, Nishizawa, et al., 1981gas phase; Entropy change calculated or estimated; M

C6H5- + Hydrogen cation = Benzene

By formula: C6H5- + H+ = C6H6

Quantity Value Units Method Reference Comment
Deltar401.22 ± 0.50kcal/molG+TSDavico, Bierbaum, et al., 1995gas phase; Revised per Ervin and DeTuro, 2002 change in NH3 acidity. Alecu, Gao, et al., 2007 using thermal methods, agrees with this BDE: 112.8±0.6; value altered from reference due to change in acidity scale; B
Deltar401.16 ± 0.21kcal/molD-EAGunion, Gilles, et al., 1992gas phase; B
Deltar400.7 ± 2.5kcal/molTDEqMeot-ner and Sieck, 1986gas phase; B
Deltar401. ± 10.kcal/molCIDTGraul and Squires, 1990gas phase; B
Deltar398.0 ± 5.6kcal/molG+TSBohme and Young, 1971gas phase; B
Quantity Value Units Method Reference Comment
Deltar392.40 ± 0.40kcal/molIMREDavico, Bierbaum, et al., 1995gas phase; Revised per Ervin and DeTuro, 2002 change in NH3 acidity. Alecu, Gao, et al., 2007 using thermal methods, agrees with this BDE: 112.8±0.6; value altered from reference due to change in acidity scale; B
Deltar390.9 ± 2.0kcal/molTDEqMeot-ner and Sieck, 1986gas phase; B
Deltar390.1 ± 6.5kcal/molIMRBBartmess and McIver Jr., 1979gas phase; B
Deltar389.2 ± 5.5kcal/molIMRBBohme and Young, 1971gas phase; B

C6H6+ + Benzene = (C6H6+ bullet Benzene)

By formula: C6H6+ + C6H6 = (C6H6+ bullet C6H6)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar14. ± 8.kcal/molAVGN/AAverage of 7 out of 10 values; Individual data points
Quantity Value Units Method Reference Comment
Deltar28.8cal/mol*KPHPMSHiraoka, Fujimaki, et al., 1991gas phase; M
Deltar27.cal/mol*KPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; M
Deltar23.cal/mol*KHPMSField, Hamlet, et al., 1969gas phase; M

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

By formula: Li+ + C6H6 = (Li+ bullet C6H6)

Quantity Value Units Method Reference Comment
Deltar38.5 ± 3.2kcal/molCIDTAmicangelo and Armentrout, 2000RCD
Deltar37.9kcal/molICRWoodin and Beauchamp, 1978gas phase; switching reaction(Li+)H2O, Entropy change calculated or estimated; Dzidic and Kebarle, 1970 extrapolated; M
Deltar36.5kcal/molICRStaley and Beauchamp, 1975gas phase; switching reaction(Li+)H2O, from graph; Dzidic and Kebarle, 1970 extrapolated; M
Quantity Value Units Method Reference Comment
Deltar27.5cal/mol*KN/AWoodin and Beauchamp, 1978gas phase; switching reaction(Li+)H2O, Entropy change calculated or estimated; Dzidic and Kebarle, 1970 extrapolated; M
Quantity Value Units Method Reference Comment
Deltar29.7kcal/molICRWoodin and Beauchamp, 1978gas phase; switching reaction(Li+)H2O, Entropy change calculated or estimated; Dzidic and Kebarle, 1970 extrapolated; M

Bromine anion + Benzene = (Bromine anion bullet Benzene)

By formula: Br- + C6H6 = (Br- bullet C6H6)

Quantity Value Units Method Reference Comment
Deltar9.0 ± 2.0kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar17.0cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Deltar17.cal/mol*KN/APaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar2.5 ± 1.0kcal/molIMREPaul and Kebarle, 1991gas phase; B
Deltar3.9 ± 2.6kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
0.0423.PHPMSPaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M

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

By formula: (Na+ bullet C6H6) + C6H6 = (Na+ bullet 2C6H6)

Quantity Value Units Method Reference Comment
Deltar20. ± 1.kcal/molAVGN/AAverage of 7 values; Individual data points

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

By formula: Na+ + C6H6 = (Na+ bullet C6H6)

Quantity Value Units Method Reference Comment
Deltar22.8 ± 1.4kcal/molCIDCAmicangelo and Armentrout, 2001Anchor NH3=24.41; RCD
Deltar21.1 ± 1.2kcal/molCIDTAmicangelo and Armentrout, 2000RCD
Deltar21.1 ± 1.1kcal/molCIDTArmentrout and Rodgers, 2000RCD
Deltar28.0kcal/molHPMSGuo, Purnell, et al., 1990gas phase; M
Quantity Value Units Method Reference Comment
Deltar31.2cal/mol*KHPMSGuo, Purnell, et al., 1990gas phase; M

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
15.7298.IMREMcMahon and Ohanessian, 2000Anchor alanine=39.89; RCD

C9H13N+ + Benzene = (C9H13N+ bullet Benzene)

By formula: C9H13N+ + C6H6 = (C9H13N+ bullet C6H6)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar11.2kcal/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar26.cal/mol*KN/AMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
2.6331.PHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M

C7H9N+ + Benzene = (C7H9N+ bullet Benzene)

By formula: C7H9N+ + C6H6 = (C7H9N+ bullet C6H6)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar12.3kcal/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar26.cal/mol*KN/AMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar4.6kcal/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M

C8H11N+ + Benzene = (C8H11N+ bullet Benzene)

By formula: C8H11N+ + C6H6 = (C8H11N+ bullet C6H6)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar10.0kcal/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar26.cal/mol*KN/AMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar2.2kcal/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M

C10H10Fe+ + Benzene = (C10H10Fe+ bullet Benzene)

By formula: C10H10Fe+ + C6H6 = (C10H10Fe+ bullet C6H6)

Quantity Value Units Method Reference Comment
Deltar8.kcal/molPHPMSMeot-Ner (Mautner), 1989gas phase; Entropy change calculated or estimated, «DELTA»rH<, DG<; M
Quantity Value Units Method Reference Comment
Deltar20.cal/mol*KN/AMeot-Ner (Mautner), 1989gas phase; Entropy change calculated or estimated, «DELTA»rH<, DG<; M

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
3.0252.PHPMSMeot-Ner (Mautner), 1989gas phase; Entropy change calculated or estimated, «DELTA»rH<, DG<; M

(Cobalt ion (1+) bullet Benzene) + Benzene = (Cobalt ion (1+) bullet 2Benzene)

By formula: (Co+ bullet C6H6) + C6H6 = (Co+ bullet 2C6H6)

Quantity Value Units Method Reference Comment
Deltar39.9 ± 3.3kcal/molCIDTMeyer, Khan, et al., 1995RCD
Quantity Value Units Method Reference Comment
Deltar27.8cal/mol*KSIDTKemper, Bushnell, et al., 1993gas phase; «DELTA»rS(490 K); M

Enthalpy of reaction

DeltarH° (kcal/mol) T (K) Method Reference Comment
39.9 (+3.2,-0.) CIDMeyer, Khan, et al., 1995gas phase; guided ion beam CID; M
27.0 (+1.0,-0.) SIDTKemper, Bushnell, et al., 1993gas phase; «DELTA»rS(490 K); M

C7H8+ + Benzene = (C7H8+ bullet Benzene)

By formula: C7H8+ + C6H6 = (C7H8+ bullet C6H6)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar12.2kcal/molMPIErnstberger, Krause, et al., 1990gas phase; M
Deltar5.5kcal/molPIRuhl, Bisling, et al., 1986gas phase; from vIP of perpendicular dimer; M
Deltar12.4kcal/molPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; M
Quantity Value Units Method Reference Comment
Deltar26.cal/mol*KPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; M

C2H7O+ + Benzene = (C2H7O+ bullet Benzene)

By formula: C2H7O+ + C6H6 = (C2H7O+ bullet C6H6)

Quantity Value Units Method Reference Comment
Deltar21.kcal/molPHPMSDeakyne and Meot-Ner (Mautner), 1985gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar25.cal/mol*KN/ADeakyne and Meot-Ner (Mautner), 1985gas phase; Entropy change calculated or estimated; M

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
8.7491.PHPMSDeakyne and Meot-Ner (Mautner), 1985gas phase; Entropy change calculated or estimated; M

(Potassium ion (1+) bullet Benzene bullet Water) + Benzene = (Potassium ion (1+) bullet 2Benzene bullet Water)

By formula: (K+ bullet C6H6 bullet H2O) + C6H6 = (K+ bullet 2C6H6 bullet H2O)

Quantity Value Units Method Reference Comment
Deltar14.4kcal/molHPMSSunner, Nishizawa, et al., 1981gas phase; From thermochemical cycle,switching reaction(K+ 3H2O)C6H6, Searles and Kebarle, 1969; M
Quantity Value Units Method Reference Comment
Deltar30.1cal/mol*KHPMSSunner, Nishizawa, et al., 1981gas phase; From thermochemical cycle,switching reaction(K+ 3H2O)C6H6, Searles and Kebarle, 1969; M

(Potassium ion (1+) bullet 2Water bullet Benzene) + Water = (Potassium ion (1+) bullet 3Water bullet Benzene)

By formula: (K+ bullet 2H2O bullet C6H6) + H2O = (K+ bullet 3H2O bullet C6H6)

Quantity Value Units Method Reference Comment
Deltar11.8kcal/molHPMSSunner, Nishizawa, et al., 1981gas phase; From thermochemical cycle,switching reaction(K+)4H2O; Searles and Kebarle, 1969; M
Quantity Value Units Method Reference Comment
Deltar26.3cal/mol*KHPMSSunner, Nishizawa, et al., 1981gas phase; From thermochemical cycle,switching reaction(K+)4H2O; Searles and Kebarle, 1969; M

(Potassium ion (1+) bullet Water bullet Benzene) + Water = (Potassium ion (1+) bullet 2Water bullet Benzene)

By formula: (K+ bullet H2O bullet C6H6) + H2O = (K+ bullet 2H2O bullet C6H6)

Quantity Value Units Method Reference Comment
Deltar12.7kcal/molHPMSSunner, Nishizawa, et al., 1981gas phase; From thermochemical cycle,switching reaction(K+)3H2O; Searles and Kebarle, 1969; M
Quantity Value Units Method Reference Comment
Deltar21.4cal/mol*KHPMSSunner, Nishizawa, et al., 1981gas phase; From thermochemical cycle,switching reaction(K+)3H2O; Searles and Kebarle, 1969; M

Iodide + Benzene = (Iodide bullet Benzene)

By formula: I- + C6H6 = (I- bullet C6H6)

Quantity Value Units Method Reference Comment
Deltar6.1 ± 2.0kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Deltar9.1 ± 1.0kcal/molTDAsCaldwell, Masucci, et al., 1989gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar14.2cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar1.8 ± 2.6kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B

C3H3+ + Benzene = (C3H3+ bullet Benzene)

By formula: C3H3+ + C6H6 = (C3H3+ bullet C6H6)

Quantity Value Units Method Reference Comment
Deltar9.0kcal/molHPMSField, Hamlet, et al., 1969gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
Deltar9.cal/mol*KHPMSField, Hamlet, et al., 1969gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
Deltar6.kcal/molHPMSField, Hamlet, et al., 1969gas phase; Entropy change is questionable; M

(Potassium ion (1+) bullet Water bullet 2Benzene) + Water = (Potassium ion (1+) bullet 2Water bullet 2Benzene)

By formula: (K+ bullet H2O bullet 2C6H6) + H2O = (K+ bullet 2H2O bullet 2C6H6)

Quantity Value Units Method Reference Comment
Deltar12.2kcal/molHPMSSunner, Nishizawa, et al., 1981gas phase; From thermochemical cycle(K+ 3H2O)C6H6; Searles and Kebarle, 1969; M
Quantity Value Units Method Reference Comment
Deltar29.4cal/mol*KHPMSSunner, Nishizawa, et al., 1981gas phase; From thermochemical cycle(K+ 3H2O)C6H6; Searles and Kebarle, 1969; M

(C6H6+ bullet 2Benzene) + Benzene = (C6H6+ bullet 3Benzene)

By formula: (C6H6+ bullet 2C6H6) + C6H6 = (C6H6+ bullet 3C6H6)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar7.0kcal/molPHPMSHiraoka, Fujimaki, et al., 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar20.cal/mol*KN/AHiraoka, Fujimaki, et al., 1991gas phase; Entropy change calculated or estimated; M

(Potassium ion (1+) bullet Benzene bullet 2Water) + Benzene = (Potassium ion (1+) bullet 2Benzene bullet 2Water)

By formula: (K+ bullet C6H6 bullet 2H2O) + C6H6 = (K+ bullet 2C6H6 bullet 2H2O)

Quantity Value Units Method Reference Comment
Deltar12.8kcal/molHPMSSunner, Nishizawa, et al., 1981gas phase; switching reaction(K+ 3H2O)C6H6; Searles and Kebarle, 1969; M
Quantity Value Units Method Reference Comment
Deltar33.7cal/mol*KHPMSSunner, Nishizawa, et al., 1981gas phase; switching reaction(K+ 3H2O)C6H6; Searles and Kebarle, 1969; M

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

By formula: Cr+ + C6H6 = (Cr+ bullet C6H6)

Quantity Value Units Method Reference Comment
Deltar40.2kcal/molMIDLin, Chen, et al., 1997RCD
Deltar39.2 ± 3.3kcal/molRAKLin and Dunbar, 1997RCD
Deltar40.6 ± 2.4kcal/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

DeltarH° (kcal/mol) T (K) Method Reference Comment
40.6 (+2.3,-0.) CIDMeyer, Khan, et al., 1995gas phase; guided ion beam CID; M

(Potassium ion (1+) bullet 2Benzene) + Water = (Potassium ion (1+) bullet Water bullet 2Benzene)

By formula: (K+ bullet 2C6H6) + H2O = (K+ bullet H2O bullet 2C6H6)

Quantity Value Units Method Reference Comment
Deltar13.7kcal/molHPMSSunner, Nishizawa, et al., 1981gas phase; switching reaction(K+ 2H2O)C6H6; Searles and Kebarle, 1969; M
Quantity Value Units Method Reference Comment
Deltar26.1cal/mol*KHPMSSunner, Nishizawa, et al., 1981gas phase; switching reaction(K+ 2H2O)C6H6; Searles and Kebarle, 1969; M

(Potassium ion (1+) bullet Benzene) + Water = (Potassium ion (1+) bullet Water bullet Benzene)

By formula: (K+ bullet C6H6) + H2O = (K+ bullet H2O bullet C6H6)

Quantity Value Units Method Reference Comment
Deltar18.1kcal/molHPMSSunner, Nishizawa, et al., 1981gas phase; switching reaction(K+ C6H6)C6H6; Searles and Kebarle, 1969; M
Quantity Value Units Method Reference Comment
Deltar29.9cal/mol*KHPMSSunner, Nishizawa, et al., 1981gas phase; switching reaction(K+ C6H6)C6H6; Searles and Kebarle, 1969; M

(Potassium ion (1+) bullet 2Water) + Benzene = (Potassium ion (1+) bullet Benzene bullet 2Water)

By formula: (K+ bullet 2H2O) + C6H6 = (K+ bullet C6H6 bullet 2H2O)

Quantity Value Units Method Reference Comment
Deltar13.4kcal/molHPMSSunner, Nishizawa, et al., 1981gas phase; switching reaction(K+)3H2O; Searles and Kebarle, 1969; M
Quantity Value Units Method Reference Comment
Deltar24.3cal/mol*KHPMSSunner, Nishizawa, et al., 1981gas phase; switching reaction(K+)3H2O; Searles and Kebarle, 1969; M

(Potassium ion (1+) bullet 3Water) + Benzene = (Potassium ion (1+) bullet Benzene bullet 3Water)

By formula: (K+ bullet 3H2O) + C6H6 = (K+ bullet C6H6 bullet 3H2O)

Quantity Value Units Method Reference Comment
Deltar12.6kcal/molHPMSSunner, Nishizawa, et al., 1981gas phase; switching reaction(K+)4H2O; Searles and Kebarle, 1969; M
Quantity Value Units Method Reference Comment
Deltar27.6cal/mol*KHPMSSunner, Nishizawa, et al., 1981gas phase; switching reaction(K+)4H2O; Searles and Kebarle, 1969; M

(Potassium ion (1+) bullet Water) + Benzene = (Potassium ion (1+) bullet Benzene bullet Water)

By formula: (K+ bullet H2O) + C6H6 = (K+ bullet C6H6 bullet H2O)

Quantity Value Units Method Reference Comment
Deltar16.8kcal/molHPMSSunner, Nishizawa, et al., 1981gas phase; switching reaction(K+)2H2O; Searles and Kebarle, 1969; M
Quantity Value Units Method Reference Comment
Deltar27.1cal/mol*KHPMSSunner, Nishizawa, et al., 1981gas phase; switching reaction(K+)2H2O; Searles and Kebarle, 1969; M

(Chromium ion (1+) bullet Benzene) + Benzene = (Chromium ion (1+) bullet 2Benzene)

By formula: (Cr+ bullet C6H6) + C6H6 = (Cr+ bullet 2C6H6)

Quantity Value Units Method Reference Comment
Deltar50.7 ± 9.1kcal/molRAKLin and Dunbar, 1997RCD
Deltar55.4 ± 4.3kcal/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

DeltarH° (kcal/mol) T (K) Method Reference Comment
55.3 (+4.4,-0.) CIDMeyer, Khan, et al., 1995gas phase; guided ion beam CID; M

Fluorine anion + Benzene = (Fluorine anion bullet Benzene)

By formula: F- + C6H6 = (F- bullet C6H6)

Quantity Value Units Method Reference Comment
Deltar15.30kcal/molTDAsHiraoka, Mizuse, et al., 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar19.5cal/mol*KPHPMSHiraoka, Mizuse, et al., 1987gas phase; M
Quantity Value Units Method Reference Comment
Deltar9.40kcal/molTDAsHiraoka, Mizuse, et al., 1987gas phase; B

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

By formula: Mn+ + C6H6 = (Mn+ bullet C6H6)

Quantity Value Units Method Reference Comment
Deltar34.4kcal/molMIDLin, Chen, et al., 1997RCD
Deltar31.8 ± 2.2kcal/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

DeltarH° (kcal/mol) T (K) Method Reference Comment
31.8 (+2.1,-0.) CIDMeyer, Khan, et al., 1995gas phase; guided ion beam CID; M

Vanadium ion (1+) + Benzene = (Vanadium ion (1+) bullet Benzene)

By formula: V+ + C6H6 = (V+ bullet C6H6)

Quantity Value Units Method Reference Comment
Deltar>55.kcal/molRAKGapeev and Dunbar, 2002RCD
Deltar55.9 ± 2.4kcal/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

DeltarH° (kcal/mol) T (K) Method Reference Comment
55.8 (+2.3,-0.) CIDMeyer, Khan, et al., 1995gas phase; guided ion beam CID; M

Iron ion (1+) + Benzene = (Iron ion (1+) bullet Benzene)

By formula: Fe+ + C6H6 = (Fe+ bullet C6H6)

Quantity Value Units Method Reference Comment
Deltar47.1kcal/molRAKGapeev and Dunbar, 2002RCD
Deltar49.5 ± 2.9kcal/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

DeltarH° (kcal/mol) T (K) Method Reference Comment
49.6 (+2.3,-0.) CIDMeyer, Khan, et al., 1995gas phase; guided ion beam CID; M

Titanium ion (1+) + Benzene = (Titanium ion (1+) bullet Benzene)

By formula: Ti+ + C6H6 = (Ti+ bullet C6H6)

Quantity Value Units Method Reference Comment
Deltar50.9kcal/molRAKGapeev and Dunbar, 2002RCD
Deltar61.9 ± 2.2kcal/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

DeltarH° (kcal/mol) T (K) Method Reference Comment
61.8 (+2.1,-0.) CIDMeyer, Khan, et al., 1995gas phase; guided ion beam CID; M

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

By formula: (K+ bullet C6H6) + C6H6 = (K+ bullet 2C6H6)

Quantity Value Units Method Reference Comment
Deltar16.1 ± 1.7kcal/molCIDTAmicangelo and Armentrout, 2000RCD
Deltar18.8kcal/molHPMSSunner, Nishizawa, et al., 1981gas phase; M
Quantity Value Units Method Reference Comment
Deltar33.9cal/mol*KHPMSSunner, Nishizawa, et al., 1981gas phase; M

C4H9+ + Benzene = (C4H9+ bullet Benzene)

By formula: C4H9+ + C6H6 = (C4H9+ bullet C6H6)

Quantity Value Units Method Reference Comment
Deltar22.kcal/molPHPMSSen Sharma, Ikuta, et al., 1982gas phase; forms protonated t-butylbenzene; M
Quantity Value Units Method Reference Comment
Deltar49.cal/mol*KPHPMSSen Sharma, Ikuta, et al., 1982gas phase; forms protonated t-butylbenzene; M

(C6H6+ bullet Benzene) + Benzene = (C6H6+ bullet 2Benzene)

By formula: (C6H6+ bullet C6H6) + C6H6 = (C6H6+ bullet 2C6H6)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar7.8 ± 0.5kcal/molPHPMSHiraoka, Fujimaki, et al., 1991gas phase; M
Quantity Value Units Method Reference Comment
Deltar19.8cal/mol*KPHPMSHiraoka, Fujimaki, et al., 1991gas phase; M

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

By formula: K+ + C6H6 = (K+ bullet C6H6)

Quantity Value Units Method Reference Comment
Deltar17.5 ± 0.9kcal/molCIDTAmicangelo and Armentrout, 2000RCD
Deltar19.2kcal/molHPMSSunner, Nishizawa, et al., 1981gas phase; M
Quantity Value Units Method Reference Comment
Deltar24.6cal/mol*KHPMSSunner, Nishizawa, et al., 1981gas phase; M

C6H7N+ + Benzene = (C6H7N+ bullet Benzene)

By formula: C6H7N+ + C6H6 = (C6H7N+ bullet C6H6)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar11.9kcal/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; M
Quantity Value Units Method Reference Comment
Deltar22.6cal/mol*KPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; M

C11H10+ + Benzene = (C11H10+ bullet Benzene)

By formula: C11H10+ + C6H6 = (C11H10+ bullet C6H6)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar9.0kcal/molPHPMSEl-Shall and Meot-Ner (Mautner), 1987gas phase; M
Quantity Value Units Method Reference Comment
Deltar24.0cal/mol*KPHPMSEl-Shall and Meot-Ner (Mautner), 1987gas phase; M

C6H5Cl+ + Benzene = (C6H5Cl+ bullet Benzene)

By formula: C6H5Cl+ + C6H6 = (C6H5Cl+ bullet C6H6)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar14.0kcal/molPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; M
Quantity Value Units Method Reference Comment
Deltar26.cal/mol*KPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; M

C9H12+ + Benzene = (C9H12+ bullet Benzene)

By formula: C9H12+ + C6H6 = (C9H12+ bullet C6H6)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Deltar10.6kcal/molPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; M
Quantity Value Units Method Reference Comment
Deltar26.cal/mol*KPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; M

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

By formula: NO- + C6H6 = (NO- bullet C6H6)

Quantity Value Units Method Reference Comment
Deltar41.1kcal/molICRReents and Freiser, 1981gas phase; switching reaction,Thermochemical ladder(NO+)C2H5OH, Entropy change calculated or estimated; Farid and McMahon, 1978; M

(Iron ion (1+) bullet Benzene) + Benzene = (Iron ion (1+) bullet 2Benzene)

By formula: (Fe+ bullet C6H6) + C6H6 = (Fe+ bullet 2C6H6)

Quantity Value Units Method Reference Comment
Deltar44.7 ± 3.8kcal/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

DeltarH° (kcal/mol) T (K) Method Reference Comment
44.7 (+3.9,-0.) CIDMeyer, Khan, et al., 1995gas phase; guided ion beam CID; M

(Titanium ion (1+) bullet Benzene) + Benzene = (Titanium ion (1+) bullet 2Benzene)

By formula: (Ti+ bullet C6H6) + C6H6 = (Ti+ bullet 2C6H6)

Quantity Value Units Method Reference Comment
Deltar60.5 ± 4.3kcal/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

DeltarH° (kcal/mol) T (K) Method Reference Comment
60.4 (+4.4,-0.) CIDMeyer, Khan, et al., 1995gas phase; guided ion beam CID; M

(Manganese ion (1+) bullet Benzene) + Benzene = (Manganese ion (1+) bullet 2Benzene)

By formula: (Mn+ bullet C6H6) + C6H6 = (Mn+ bullet 2C6H6)

Quantity Value Units Method Reference Comment
Deltar48.5 ± 3.8kcal/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

DeltarH° (kcal/mol) T (K) Method Reference Comment
48.4 (+3.9,-0.) CIDMeyer, Khan, et al., 1995gas phase; guided ion beam CID; M

(Nickel ion (1+) bullet Benzene) + Benzene = (Nickel ion (1+) bullet 2Benzene)

By formula: (Ni+ bullet C6H6) + C6H6 = (Ni+ bullet 2C6H6)

Quantity Value Units Method Reference Comment
Deltar35.1 ± 2.9kcal/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

DeltarH° (kcal/mol) T (K) Method Reference Comment
35.1 (+2.8,-0.) CIDMeyer, Khan, et al., 1995gas phase; guided ion beam CID; M

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

By formula: (Cu+ bullet C6H6) + C6H6 = (Cu+ bullet 2C6H6)

Quantity Value Units Method Reference Comment
Deltar37.0 ± 2.9kcal/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

DeltarH° (kcal/mol) T (K) Method Reference Comment
37.1 (+2.8,-0.) CIDMeyer, Khan, et al., 1995gas phase; guided ion beam CID; M

(CAS Reg. No. 79431-04-2 bullet 4294967295Benzene) + Benzene = CAS Reg. No. 79431-04-2

By formula: (CAS Reg. No. 79431-04-2 bullet 4294967295C6H6) + C6H6 = CAS Reg. No. 79431-04-2

Quantity Value Units Method Reference Comment
Deltar21.5 ± 4.2kcal/molTherLee and Squires, 1986gas phase; Between SiH4, tBuOH; value altered from reference due to change in acidity scale; B

Nickel ion (1+) + Benzene = (Nickel ion (1+) bullet Benzene)

By formula: Ni+ + C6H6 = (Ni+ bullet C6H6)

Quantity Value Units Method Reference Comment
Deltar58.1 ± 2.6kcal/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

DeltarH° (kcal/mol) T (K) Method Reference Comment
58.1 (+2.5,-0.) CIDMeyer, Khan, et al., 1995gas phase; guided ion beam CID; 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.

Tschurl, Ueberfluss, et al., 2007
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Hiraoka, Mizuse, et al., 1988
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Larson and McMahon, 1984
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Paul and Kebarle, 1991
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Sunner, Nishizawa, et al., 1981
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Larson and McMahon, 1984, 2
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French, Ikuta, et al., 1982
French, M.A.; Ikuta, S.; Kebarle, P., Hydrogen bonding of O-H and C-H hydrogen donors to Cl-. Results from mass spectrometric measurement of the ion-molecule equilibria RH + Cl- = RHCl-, Can. J. Chem., 1982, 60, 1907. [all data]

Chowdhury and Kebarle, 1986
Chowdhury, S.; Kebarle, P., Role of Binding Energies in A-.B and A.B- Complexes in the Kinetics of Gas Phase Electron Transfer Reactions:A- + B = A + B- Involving Perfluoro Compounds: SF6, C6F11CF3, J. Chem. Phys., 1986, 85, 9, 4989, https://doi.org/10.1063/1.451687 . [all data]

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Ervin, K.M.; DeTuro, V.F., Anchoring the gas-phase acidity scale, J. Phys. Chem. A, 2002, 106, 42, 9947-9956, https://doi.org/10.1021/jp020594n . [all data]

Alecu, Gao, et al., 2007
Alecu, I.M.; Gao, Y.D.; Hsieh, P.C.; Sand, J.P.; Ors, A.; McLeod, A.; Marshall, P., Studies of the kinetics and thermochemistry of the forward and reverse reaction Cl+C6H6=HCl+C6H5, J. Phys. Chem. A, 2007, 111, 19, 3970-3976, https://doi.org/10.1021/jp067212o . [all data]

Gunion, Gilles, et al., 1992
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Graul and Squires, 1990
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Bartmess and McIver Jr., 1979
Bartmess, J.E.; McIver Jr., The Gas Phase Acidity Scale in Gas Phase Ion Chemistry, Gas Phase Ion Chemistry, V. 2, M.T. Bowers, Ed., Academic Press, NY, 1979, Ch. 11, Elsevier, 1979. [all data]

Hiraoka, Fujimaki, et al., 1991
Hiraoka, K.; Fujimaki, S.; Aruga, K.; Yamabe, S., Stability and Structure of Benzene Dimer Cation (C6H6)2+, J. Chem. Phys., 1991, 95, 11, 8413, https://doi.org/10.1063/1.461270 . [all data]

Meot-Ner (Mautner), Hamlet, et al., 1978
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Field, Hamlet, et al., 1969
Field, F.H.; Hamlet, P.; Libby, W.F., Effect of Temperature on the Mass Spectrum of Benzene at High Pressures, J. Am. Chem. Soc., 1969, 91, 11, 2839, https://doi.org/10.1021/ja01039a003 . [all data]

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Woodin and Beauchamp, 1978
Woodin, R.L.; Beauchamp, J.L., Bonding of Li+ to Lewis Bases in the Gas Phase. Reversals in Methyl Substituent Effects for Different Reference Acids, J. Am. Chem. Soc., 1978, 100, 2, 501, https://doi.org/10.1021/ja00470a024 . [all data]

Dzidic and Kebarle, 1970
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Staley and Beauchamp, 1975
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Meyer, F.; Khan, F.A.; Armentrout, P.B., Thermochemistry of Transition Metal Benzene complexes: Binding energies of M(C6H6)x+ (x = 1,2) for M = Ti to Cu, J. Am. Chem. Soc., 1995, 117, 38, 9740, https://doi.org/10.1021/ja00143a018 . [all data]

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Kemper, P.R.; Bushnell, J.; Von Koppen, P.; Bowers, M.T., Binding Energies of Co+(H2/CH4/C2H6)1,2,3 Clusters, J. Phys. Chem., 1993, 97, 9, 1810, https://doi.org/10.1021/j100111a016 . [all data]

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Lee and Squires, 1986
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Notes

Go To: Top, Reaction thermochemistry data, References