Benzene

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Gas phase thermochemistry data

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, 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:
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity Value Units Method Reference Comment
ΔfH°gas19.8 ± 0.2kcal/molReviewRoux, Temprado, et al., 2008There are sufficient high-quality literature values to make a good evaluation with a high degree of confidence. In general, the evaluated uncertainty limits are on the order of (0.5 to 2.5) kJ/mol.; DRB
ΔfH°gas19.8kcal/molN/AGood and Smith, 1969Value computed using ΔfHliquid° value of 49.0±0.5 kj/mol from Good and Smith, 1969 and ΔvapH° value of 33.9 kj/mol from Prosen, Gilmont, et al., 1945.; DRB
ΔfH°gas19.82 ± 0.12kcal/molCcbProsen, Gilmont, et al., 1945Hf by Prosen, Johnson, et al., 1946; ALS
ΔfH°gas19.1kcal/molN/ALandrieu, Baylocq, et al., 1929Value computed using ΔfHliquid° value of 46.0 kj/mol from Landrieu, Baylocq, et al., 1929 and ΔvapH° value of 33.9 kj/mol from Prosen, Gilmont, et al., 1945.; DRB

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
7.95250.Thermodynamics Research Center, 1997GT
8.391100.
10.02150.
12.71200.
17.82273.15
19.70298.15
19.84300.
27.132400.
33.305500.
38.262600.
42.251700.
45.519800.
48.236900.
50.5281000.
52.4761100.
54.1401200.
55.5661300.
56.8001400.
57.8661500.
59.9691750.
61.4872000.
62.6082250.
63.4562500.
64.1092750.
64.6203000.

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
22.30 ± 0.01333.15Todd S.S., 1978Please also see Montgomery J.B., 1942, Pitzer K.S., 1943, Scott D.W., 1947.; GT
22.90341.60
23.42 ± 0.01348.15
24.85 ± 0.01368.15
25.100370.
25.041371.20
26.00 ± 0.30388.
26.501390.
26.40 ± 0.30393.
27.230402.30
27.32 ± 0.02403.15
27.600410.
28.10 ± 0.30417.
28.40 ± 0.30428.
29.491436.15
29.62 ± 0.02438.15
30.30 ± 0.30463.
31.649471.10
31.77 ± 0.02473.15
31.40 ± 0.30481.
33.33 ± 0.02500.15
34.80 ± 0.02527.15

Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, 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
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 • Benzene)

By formula: Cl- + C6H6 = (Cl- • C6H6)

Quantity Value Units Method Reference Comment
ΔrH°6.00 ± 0.46kcal/molN/ATschurl, Ueberfluss, et al., 2007gas phase; B
ΔrH°9.4 ± 2.0kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
ΔrH°9.90kcal/molIMRELarson and McMahon, 1984gas phase; B,M
ΔrH°8.7kcal/molPHPMSPaul and Kebarle, 1991gas phase; from Ph. D. thesis of S. Chowdhury, Entropy change calculated or estimated; M
ΔrH°10.4kcal/molPHPMSSunner, Nishizawa, et al., 1981gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrS°17.9cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
ΔrS°17.cal/mol*KN/APaul and Kebarle, 1991gas phase; from Ph. D. thesis of S. Chowdhury, Entropy change calculated or estimated; M
ΔrS°17.1cal/mol*KN/ALarson and McMahon, 1984, 2gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; French, Ikuta, et al., 1982; M
ΔrS°22.cal/mol*KN/ASunner, Nishizawa, et al., 1981gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrG°4.0 ± 2.6kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B
ΔrG°3.8 ± 1.6kcal/molIMREChowdhury and Kebarle, 1986gas phase; B
ΔrG°4.8 ± 2.0kcal/molIMRELarson and McMahon, 1984gas phase; B,M
ΔrG°3.80kcal/molIMREFrench, Ikuta, et al., 1982gas phase; B

Free energy of reaction

ΔrG° (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
ΔrH°401.22 ± 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
ΔrH°401.16 ± 0.21kcal/molD-EAGunion, Gilles, et al., 1992gas phase; B
ΔrH°400.7 ± 2.5kcal/molTDEqMeot-ner and Sieck, 1986gas phase; B
ΔrH°401. ± 10.kcal/molCIDTGraul and Squires, 1990gas phase; B
ΔrH°398.0 ± 5.6kcal/molG+TSBohme and Young, 1971gas phase; B
Quantity Value Units Method Reference Comment
ΔrG°392.40 ± 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
ΔrG°390.9 ± 2.0kcal/molTDEqMeot-ner and Sieck, 1986gas phase; B
ΔrG°390.1 ± 6.5kcal/molIMRBBartmess and McIver Jr., 1979gas phase; B
ΔrG°389.2 ± 5.5kcal/molIMRBBohme and Young, 1971gas phase; B

C6H6+ + Benzene = (C6H6+ • Benzene)

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

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
ΔrH°14. ± 8.kcal/molAVGN/AAverage of 7 out of 10 values; Individual data points
Quantity Value Units Method Reference Comment
ΔrS°28.8cal/mol*KPHPMSHiraoka, Fujimaki, et al., 1991gas phase; M
ΔrS°27.cal/mol*KPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; M
ΔrS°23.cal/mol*KHPMSField, Hamlet, et al., 1969gas phase; M

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

By formula: Li+ + C6H6 = (Li+ • C6H6)

Quantity Value Units Method Reference Comment
ΔrH°38.5 ± 3.2kcal/molCIDTAmicangelo and Armentrout, 2000RCD
ΔrH°37.9kcal/molICRWoodin and Beauchamp, 1978gas phase; switching reaction(Li+)H2O, Entropy change calculated or estimated; Dzidic and Kebarle, 1970 extrapolated; M
ΔrH°36.5kcal/molICRStaley and Beauchamp, 1975gas phase; switching reaction(Li+)H2O, from graph; Dzidic and Kebarle, 1970 extrapolated; M
Quantity Value Units Method Reference Comment
ΔrS°27.5cal/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
ΔrG°29.7kcal/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 • Benzene)

By formula: Br- + C6H6 = (Br- • C6H6)

Quantity Value Units Method Reference Comment
ΔrH°9.0 ± 2.0kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°17.0cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
ΔrS°17.cal/mol*KN/APaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrG°2.5 ± 1.0kcal/molIMREPaul and Kebarle, 1991gas phase; B
ΔrG°3.9 ± 2.6kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B

Free energy of reaction

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

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

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

Quantity Value Units Method Reference Comment
ΔrH°20. ± 1.kcal/molAVGN/AAverage of 7 values; Individual data points

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

By formula: Na+ + C6H6 = (Na+ • C6H6)

Quantity Value Units Method Reference Comment
ΔrH°22.8 ± 1.4kcal/molCIDCAmicangelo and Armentrout, 2001Anchor NH3=24.41; RCD
ΔrH°21.1 ± 1.2kcal/molCIDTAmicangelo and Armentrout, 2000RCD
ΔrH°21.1 ± 1.1kcal/molCIDTArmentrout and Rodgers, 2000RCD
ΔrH°28.0kcal/molHPMSGuo, Purnell, et al., 1990gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°31.2cal/mol*KHPMSGuo, Purnell, et al., 1990gas phase; M

Free energy of reaction

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

C9H13N+ + Benzene = (C9H13N+ • Benzene)

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

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
ΔrH°11.2kcal/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrS°26.cal/mol*KN/AMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (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+ • Benzene)

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

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
ΔrH°12.3kcal/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrS°26.cal/mol*KN/AMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrG°4.6kcal/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M

C8H11N+ + Benzene = (C8H11N+ • Benzene)

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

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
ΔrH°10.0kcal/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrS°26.cal/mol*KN/AMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrG°2.2kcal/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M

C10H10Fe+ + Benzene = (C10H10Fe+ • Benzene)

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

Quantity Value Units Method Reference Comment
ΔrH°8.kcal/molPHPMSMeot-Ner (Mautner), 1989gas phase; Entropy change calculated or estimated, ΔrH<, DG<; M
Quantity Value Units Method Reference Comment
ΔrS°20.cal/mol*KN/AMeot-Ner (Mautner), 1989gas phase; Entropy change calculated or estimated, ΔrH<, DG<; M

Free energy of reaction

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

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

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

Quantity Value Units Method Reference Comment
ΔrH°39.9 ± 3.3kcal/molCIDTMeyer, Khan, et al., 1995RCD
Quantity Value Units Method Reference Comment
ΔrS°27.8cal/mol*KSIDTKemper, Bushnell, et al., 1993gas phase; ΔrS(490 K); M

Enthalpy of reaction

ΔrH° (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; ΔrS(490 K); M

C7H8+ + Benzene = (C7H8+ • Benzene)

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

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
ΔrH°12.2kcal/molMPIErnstberger, Krause, et al., 1990gas phase; M
ΔrH°5.5kcal/molPIRuhl, Bisling, et al., 1986gas phase; from vIP of perpendicular dimer; M
ΔrH°12.4kcal/molPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°26.cal/mol*KPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; M

C2H7O+ + Benzene = (C2H7O+ • Benzene)

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

Quantity Value Units Method Reference Comment
ΔrH°21.kcal/molPHPMSDeakyne and Meot-Ner (Mautner), 1985gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrS°25.cal/mol*KN/ADeakyne and Meot-Ner (Mautner), 1985gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (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+) • Benzene • Water) + Benzene = (Potassium ion (1+) • 2Benzene • Water)

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

Quantity Value Units Method Reference Comment
ΔrH°14.4kcal/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
ΔrS°30.1cal/mol*KHPMSSunner, Nishizawa, et al., 1981gas phase; From thermochemical cycle,switching reaction(K+ 3H2O)C6H6, Searles and Kebarle, 1969; M

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

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

Quantity Value Units Method Reference Comment
ΔrH°11.8kcal/molHPMSSunner, Nishizawa, et al., 1981gas phase; From thermochemical cycle,switching reaction(K+)4H2O; Searles and Kebarle, 1969; M
Quantity Value Units Method Reference Comment
ΔrS°26.3cal/mol*KHPMSSunner, Nishizawa, et al., 1981gas phase; From thermochemical cycle,switching reaction(K+)4H2O; Searles and Kebarle, 1969; M

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

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

Quantity Value Units Method Reference Comment
ΔrH°12.7kcal/molHPMSSunner, Nishizawa, et al., 1981gas phase; From thermochemical cycle,switching reaction(K+)3H2O; Searles and Kebarle, 1969; M
Quantity Value Units Method Reference Comment
ΔrS°21.4cal/mol*KHPMSSunner, Nishizawa, et al., 1981gas phase; From thermochemical cycle,switching reaction(K+)3H2O; Searles and Kebarle, 1969; M

Iodide + Benzene = (Iodide • Benzene)

By formula: I- + C6H6 = (I- • C6H6)

Quantity Value Units Method Reference Comment
ΔrH°6.1 ± 2.0kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
ΔrH°9.1 ± 1.0kcal/molTDAsCaldwell, Masucci, et al., 1989gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°14.2cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°1.8 ± 2.6kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B

C3H3+ + Benzene = (C3H3+ • Benzene)

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

Quantity Value Units Method Reference Comment
ΔrH°9.0kcal/molHPMSField, Hamlet, et al., 1969gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
ΔrS°9.cal/mol*KHPMSField, Hamlet, et al., 1969gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
ΔrG°6.kcal/molHPMSField, Hamlet, et al., 1969gas phase; Entropy change is questionable; M

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

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

Quantity Value Units Method Reference Comment
ΔrH°12.2kcal/molHPMSSunner, Nishizawa, et al., 1981gas phase; From thermochemical cycle(K+ 3H2O)C6H6; Searles and Kebarle, 1969; M
Quantity Value Units Method Reference Comment
ΔrS°29.4cal/mol*KHPMSSunner, Nishizawa, et al., 1981gas phase; From thermochemical cycle(K+ 3H2O)C6H6; Searles and Kebarle, 1969; M

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

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

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
ΔrH°7.0kcal/molPHPMSHiraoka, Fujimaki, et al., 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrS°20.cal/mol*KN/AHiraoka, Fujimaki, et al., 1991gas phase; Entropy change calculated or estimated; M

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

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

Quantity Value Units Method Reference Comment
ΔrH°12.8kcal/molHPMSSunner, Nishizawa, et al., 1981gas phase; switching reaction(K+ 3H2O)C6H6; Searles and Kebarle, 1969; M
Quantity Value Units Method Reference Comment
ΔrS°33.7cal/mol*KHPMSSunner, Nishizawa, et al., 1981gas phase; switching reaction(K+ 3H2O)C6H6; Searles and Kebarle, 1969; M

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

By formula: Cr+ + C6H6 = (Cr+ • C6H6)

Quantity Value Units Method Reference Comment
ΔrH°40.2kcal/molMIDLin, Chen, et al., 1997RCD
ΔrH°39.2 ± 3.3kcal/molRAKLin and Dunbar, 1997RCD
ΔrH°40.6 ± 2.4kcal/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

ΔrH° (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+) • 2Benzene) + Water = (Potassium ion (1+) • Water • 2Benzene)

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

Quantity Value Units Method Reference Comment
ΔrH°13.7kcal/molHPMSSunner, Nishizawa, et al., 1981gas phase; switching reaction(K+ 2H2O)C6H6; Searles and Kebarle, 1969; M
Quantity Value Units Method Reference Comment
ΔrS°26.1cal/mol*KHPMSSunner, Nishizawa, et al., 1981gas phase; switching reaction(K+ 2H2O)C6H6; Searles and Kebarle, 1969; M

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

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

Quantity Value Units Method Reference Comment
ΔrH°18.1kcal/molHPMSSunner, Nishizawa, et al., 1981gas phase; switching reaction(K+ C6H6)C6H6; Searles and Kebarle, 1969; M
Quantity Value Units Method Reference Comment
ΔrS°29.9cal/mol*KHPMSSunner, Nishizawa, et al., 1981gas phase; switching reaction(K+ C6H6)C6H6; Searles and Kebarle, 1969; M

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

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

Quantity Value Units Method Reference Comment
ΔrH°13.4kcal/molHPMSSunner, Nishizawa, et al., 1981gas phase; switching reaction(K+)3H2O; Searles and Kebarle, 1969; M
Quantity Value Units Method Reference Comment
ΔrS°24.3cal/mol*KHPMSSunner, Nishizawa, et al., 1981gas phase; switching reaction(K+)3H2O; Searles and Kebarle, 1969; M

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

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

Quantity Value Units Method Reference Comment
ΔrH°12.6kcal/molHPMSSunner, Nishizawa, et al., 1981gas phase; switching reaction(K+)4H2O; Searles and Kebarle, 1969; M
Quantity Value Units Method Reference Comment
ΔrS°27.6cal/mol*KHPMSSunner, Nishizawa, et al., 1981gas phase; switching reaction(K+)4H2O; Searles and Kebarle, 1969; M

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

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

Quantity Value Units Method Reference Comment
ΔrH°16.8kcal/molHPMSSunner, Nishizawa, et al., 1981gas phase; switching reaction(K+)2H2O; Searles and Kebarle, 1969; M
Quantity Value Units Method Reference Comment
ΔrS°27.1cal/mol*KHPMSSunner, Nishizawa, et al., 1981gas phase; switching reaction(K+)2H2O; Searles and Kebarle, 1969; M

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

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

Quantity Value Units Method Reference Comment
ΔrH°50.7 ± 9.1kcal/molRAKLin and Dunbar, 1997RCD
ΔrH°55.4 ± 4.3kcal/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

ΔrH° (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 • Benzene)

By formula: F- + C6H6 = (F- • C6H6)

Quantity Value Units Method Reference Comment
ΔrH°15.30kcal/molTDAsHiraoka, Mizuse, et al., 1987gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°19.5cal/mol*KPHPMSHiraoka, Mizuse, et al., 1987gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°9.40kcal/molTDAsHiraoka, Mizuse, et al., 1987gas phase; B

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

By formula: Mn+ + C6H6 = (Mn+ • C6H6)

Quantity Value Units Method Reference Comment
ΔrH°34.4kcal/molMIDLin, Chen, et al., 1997RCD
ΔrH°31.8 ± 2.2kcal/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

ΔrH° (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+) • Benzene)

By formula: V+ + C6H6 = (V+ • C6H6)

Quantity Value Units Method Reference Comment
ΔrH°>55.kcal/molRAKGapeev and Dunbar, 2002RCD
ΔrH°55.9 ± 2.4kcal/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

ΔrH° (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+) • Benzene)

By formula: Fe+ + C6H6 = (Fe+ • C6H6)

Quantity Value Units Method Reference Comment
ΔrH°47.1kcal/molRAKGapeev and Dunbar, 2002RCD
ΔrH°49.5 ± 2.9kcal/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

ΔrH° (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+) • Benzene)

By formula: Ti+ + C6H6 = (Ti+ • C6H6)

Quantity Value Units Method Reference Comment
ΔrH°50.9kcal/molRAKGapeev and Dunbar, 2002RCD
ΔrH°61.9 ± 2.2kcal/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

ΔrH° (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+) • Benzene) + Benzene = (Potassium ion (1+) • 2Benzene)

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

Quantity Value Units Method Reference Comment
ΔrH°16.1 ± 1.7kcal/molCIDTAmicangelo and Armentrout, 2000RCD
ΔrH°18.8kcal/molHPMSSunner, Nishizawa, et al., 1981gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°33.9cal/mol*KHPMSSunner, Nishizawa, et al., 1981gas phase; M

C4H9+ + Benzene = (C4H9+ • Benzene)

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

Quantity Value Units Method Reference Comment
ΔrH°22.kcal/molPHPMSSen Sharma, Ikuta, et al., 1982gas phase; forms protonated t-butylbenzene; M
Quantity Value Units Method Reference Comment
ΔrS°49.cal/mol*KPHPMSSen Sharma, Ikuta, et al., 1982gas phase; forms protonated t-butylbenzene; M

(C6H6+ • Benzene) + Benzene = (C6H6+ • 2Benzene)

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

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
ΔrH°7.8 ± 0.5kcal/molPHPMSHiraoka, Fujimaki, et al., 1991gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°19.8cal/mol*KPHPMSHiraoka, Fujimaki, et al., 1991gas phase; M

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

By formula: K+ + C6H6 = (K+ • C6H6)

Quantity Value Units Method Reference Comment
ΔrH°17.5 ± 0.9kcal/molCIDTAmicangelo and Armentrout, 2000RCD
ΔrH°19.2kcal/molHPMSSunner, Nishizawa, et al., 1981gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°24.6cal/mol*KHPMSSunner, Nishizawa, et al., 1981gas phase; M

C6H7N+ + Benzene = (C6H7N+ • Benzene)

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

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
ΔrH°11.9kcal/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°22.6cal/mol*KPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; M

C11H10+ + Benzene = (C11H10+ • Benzene)

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

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
ΔrH°9.0kcal/molPHPMSEl-Shall and Meot-Ner (Mautner), 1987gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°24.0cal/mol*KPHPMSEl-Shall and Meot-Ner (Mautner), 1987gas phase; M

C6H5Cl+ + Benzene = (C6H5Cl+ • Benzene)

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

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
ΔrH°14.0kcal/molPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°26.cal/mol*KPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; M

C9H12+ + Benzene = (C9H12+ • Benzene)

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

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
ΔrH°10.6kcal/molPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°26.cal/mol*KPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; M

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

By formula: NO- + C6H6 = (NO- • C6H6)

Quantity Value Units Method Reference Comment
ΔrH°41.1kcal/molICRReents and Freiser, 1981gas phase; switching reaction,Thermochemical ladder(NO+)C2H5OH, Entropy change calculated or estimated; Farid and McMahon, 1978; M

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

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

Quantity Value Units Method Reference Comment
ΔrH°44.7 ± 3.8kcal/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

ΔrH° (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+) • Benzene) + Benzene = (Titanium ion (1+) • 2Benzene)

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

Quantity Value Units Method Reference Comment
ΔrH°60.5 ± 4.3kcal/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

ΔrH° (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+) • Benzene) + Benzene = (Manganese ion (1+) • 2Benzene)

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

Quantity Value Units Method Reference Comment
ΔrH°48.5 ± 3.8kcal/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

ΔrH° (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+) • Benzene) + Benzene = (Nickel ion (1+) • 2Benzene)

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

Quantity Value Units Method Reference Comment
ΔrH°35.1 ± 2.9kcal/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

ΔrH° (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+) • Benzene) + Benzene = (Copper ion (1+) • 2Benzene)

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

Quantity Value Units Method Reference Comment
ΔrH°37.0 ± 2.9kcal/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

ΔrH° (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 • 4294967295Benzene) + Benzene = CAS Reg. No. 79431-04-2

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

Quantity Value Units Method Reference Comment
ΔrH°21.5 ± 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+) • Benzene)

By formula: Ni+ + C6H6 = (Ni+ • C6H6)

Quantity Value Units Method Reference Comment
ΔrH°58.1 ± 2.6kcal/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

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

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Ion clustering data, IR Spectrum, References, Notes

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

Data evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias

Data compiled as indicated in comments:
B - John E. Bartmess
MM - Michael M. Meot-Ner (Mautner)
LL - Sharon G. Lias and Joel F. Liebman
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to C6H6+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)9.24378 ± 0.00007eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)179.3kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity173.4kcal/molN/AHunter and Lias, 1998HL

Proton affinity at 298K

Proton affinity (kcal/mol) Reference Comment
178.4Aue, Guidoni, et al., 2000Experimental literature data re-evaluated by the authors using ab initio protonation entropies; MM

Gas basicity at 298K

Gas basicity (review) (kcal/mol) Reference Comment
172.5Aue, Guidoni, et al., 2000Experimental literature data re-evaluated by the authors using ab initio protonation entropies; MM

Ionization energy determinations

IE (eV) Method Reference Comment
9.24384 ± 0.00006TENemeth, Selzle, et al., 1993LL
9.24372 ± 0.00005TEChewter, Sander, et al., 1987LBLHLM
9.20EIStahl and Maquin, 1984LBLHLM
9.2459 ± 0.0002SGrubb, Whetten, et al., 1984LBLHLM
9.23 ± 0.03EIArimura and Yoshikawa, 1984LBLHLM
9.25PEKlasinc, Kovac, et al., 1983LBLHLM
9.23PECetinkaya, Lappert, et al., 1983LBLHLM
9.25PEKimura, Katsumata, et al., 1981LLK
9.240 ± 0.002LSDuncan, Dietz, et al., 1981LLK
9.44EIClare and Sowerby, 1981LLK
9.25PEBieri and Asbrink, 1980LLK
9.22PESell, Mintz, et al., 1978LLK
9.24PEMattsson, Karlsson, et al., 1977LLK
9.25 ± 0.02PEBieri, Burger, et al., 1977LLK
9.25 ± 0.07EISelim, 1976LLK
9.24PEBehan, Johnstone, et al., 1976LLK
9.70EIBaldwin, Loudon, et al., 1976LLK
9.25CTSPitt, 1973LLK
9.2 ± 0.1EITajima, Shimizu, et al., 1972LLK
9.26 ± 0.06EIFinney and Harrison, 1972LLK
9.27PEChizhov, Kleimenov, et al., 1972LLK
9.24 ± 0.01PISergeev, Akopyan, et al., 1970RDSH
9.25 ± 0.01PIDemeo and El-Sayed, 1970RDSH
9.36 ± 0.05EIBuchs, 1970RDSH
9.241 ± 0.001PEAsbrink, Lindholm, et al., 1970RDSH
9.241TEPeatman, Borne, et al., 1969RDSH
9.24 ± 0.01PEDewar and Worley, 1969RDSH
9.25 ± 0.01PIMomigny, Goffart, et al., 1968RDSH
9.20 ± 0.04EIBock, Seidl, et al., 1968RDSH
9.24PEBaker, May, et al., 1968RDSH
9.25PEBaker, Brundle, et al., 1968RDSH
9.25 ± 0.02PEClark and Frost, 1967RDSH
9.26 ± 0.02EINounou, 1966RDSH
9.246 ± 0.005PIBrehm, 1966RDSH
9.241 ± 0.006PINicholson, 1965RDSH
9.24 ± 0.01PIDibeler and Reese, 1964RDSH
9.25PEAl-Joboury and Turner, 1964RDSH
9.2PITerenin, 1961RDSH
9.248SEl-Sayed, Kaaba, et al., 1961RDSH
9.247 ± 0.002SWilkinson, 1956RDSH
9.25 ± 0.01PIWatanabe, 1954RDSH
9.8 ± 0.1EIHustrulid, Kusch, et al., 1938RDSH
9.242 ± 0.005SPrice and Wood, 1935RDSH
9.23PEHowell, Goncalves, et al., 1984Vertical value; LBLHLM
9.25PEKovac, Mohraz, et al., 1980Vertical value; LLK
9.25PEKaim, Tesmann, et al., 1980Vertical value; LLK
9.22PESell and Kupperman, 1978Vertical value; LLK
9.23PEKobayashi, 1978Vertical value; LLK
9.3PEKlasinc, Novak, et al., 1978Vertical value; LLK
9.24 ± 0.02PESchmidt, 1977Vertical value; LLK
9.25 ± 0.05PEGower, Kane-Maguire, et al., 1977Vertical value; LLK
9.24PEBock, Kaim, et al., 1977Vertical value; LLK
9.24PEClar and Schmidt, 1976Vertical value; LLK
9.23PEKobayashi and Nagakura, 1975Vertical value; LLK
9.24PEBischof, Dewar, et al., 1974Vertical value; LLK
9.24PESchafer and Schweig, 1972Vertical value; LLK
9.25 ± 0.03PEKlessinger, 1972Vertical value; LLK
9.24PEBock, Wagner, et al., 1972Vertical value; LLK
9.2PECarlson and Anderson, 1971Vertical value; LLK
9.24PEBock and Fuss, 1971Vertical value; LLK
9.24PEGleiter, Heilbronner, et al., 1970Vertical value; RDSH

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CH3+28.2 ± 0.2?EIOlmsted, Street, et al., 1964RDSH
C2H2+19. ± 0.4?EILifshitz and Reuben, 1969RDSH
C2H2+18.6?EINatalis and Franklin, 1965RDSH
C2H2+32.6 ± 0.2?EIOlmsted, Street, et al., 1964RDSH
C2H3+19. ± 0.4?EILifshitz and Reuben, 1969RDSH
C3H3+13.43?LSKuhlewind, Kiermeier, et al., 1986LBLHLM
C3H3+15.34 ± 0.06C3H3EISelim, 1976LLK
C3H3+16.90C3H3PEEland, Frey, et al., 1976LLK
C3H3+13.79C3H3PIRosenstock, Larkins, et al., 1973LLK
C3H3+14.7 ± 0.1?EILifshitz and Reuben, 1969RDSH
C4H2+17.5 ± 0.3?EILifshitz and Reuben, 1969RDSH
C4H3+18.48 ± 0.07H+C2H2EISelim, 1976LLK
C4H3+17.6 ± 0.1?EILifshitz and Reuben, 1969RDSH
C4H4+13.40C2H2LSKuhlewind, Kiermeier, et al., 1986T = 0K; LBLHLM
C4H4+13.9 ± 0.1C2H2EIRosenstock, McCulloh, et al., 1977LLK
C4H4+14.17 ± 0.08C2H2PIRosenstock, McCulloh, et al., 1977LLK
C4H4+14.85C2H2PEEland, Frey, et al., 1976LLK
C4H4+13.85C2H2PIRosenstock, Larkins, et al., 1973LLK
C4H4+14.1C2H2EIHickling and Jennings, 1970RDSH
C4H4+14.5 ± 0.2C2H2EILifshitz and Reuben, 1969RDSH
C5H3+15.7 ± 0.1CH3EILifshitz and Reuben, 1969RDSH
C6H+29. ± 2.?EILifshitz and Reuben, 1969RDSH
C6H4+12.93H2LSKuhlewind, Kiermeier, et al., 1986T = 0K; LBLHLM
C6H4+14.14 ± 0.08H2EISelim, 1976LLK
C6H4+12.94H2PIRosenstock, Larkins, et al., 1973LLK
C6H4+14.04 ± 0.06H2EIBentley, Johnstone, et al., 1973LLK
C6H4+14.09 ± 0.07H2EINatalis and Franklin, 1965RDSH
C6H5+13.12 ± 0.05HEVALKlippenstein, Faulk, et al., 1993T = 0K; LL
C6H5+12.90HLSKuhlewind, Kiermeier, et al., 1986T = 0K; LBLHLM
C6H5+13.7 ± 0.1HEIRosenstock, McCulloh, et al., 1977LLK
C6H5+13.78 ± 0.08HPIRosenstock, McCulloh, et al., 1977LLK
C6H5+14.56 ± 0.07HEISelim, 1976LLK
C6H5+12.94HPIRosenstock, Larkins, et al., 1973LLK
C6H5+13.97 ± 0.06HEIBentley, Johnstone, et al., 1973LLK
C6H5+14.1 ± 0.1HEIGross, 1972LLK
C6H5+13.80 ± 0.03HPISergeev, Akopyan, et al., 1970RDSH
C6H5+14.1 ± 0.1HEILifshitz and Reuben, 1969RDSH
C6H5+13.8 ± 0.1HPIBrehm, 1966RDSH
C6H71-43-24+14.2 ± 0.2H2EILifshitz and Reuben, 1969RDSH

De-protonation reactions

C6H5- + Hydrogen cation = Benzene

By formula: C6H5- + H+ = C6H6

Quantity Value Units Method Reference Comment
ΔrH°401.22 ± 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
ΔrH°401.16 ± 0.21kcal/molD-EAGunion, Gilles, et al., 1992gas phase; B
ΔrH°400.7 ± 2.5kcal/molTDEqMeot-ner and Sieck, 1986gas phase; B
ΔrH°401. ± 10.kcal/molCIDTGraul and Squires, 1990gas phase; B
ΔrH°398.0 ± 5.6kcal/molG+TSBohme and Young, 1971gas phase; B
Quantity Value Units Method Reference Comment
ΔrG°392.40 ± 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
ΔrG°390.9 ± 2.0kcal/molTDEqMeot-ner and Sieck, 1986gas phase; B
ΔrG°390.1 ± 6.5kcal/molIMRBBartmess and McIver Jr., 1979gas phase; B
ΔrG°389.2 ± 5.5kcal/molIMRBBohme and Young, 1971gas phase; B

Ion clustering data

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, References, Notes

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

Data compiled as indicated in comments:
RCD - Robert C. Dunbar
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

Silver ion (1+) + Benzene = (Silver ion (1+) • Benzene)

By formula: Ag+ + C6H6 = (Ag+ • C6H6)

Quantity Value Units Method Reference Comment
ΔrH°37.3 ± 1.7kcal/molCIDTRodgers and Armentrout, 2000RCD
ΔrH°39.9 ± 4.5kcal/molRAKHo, Yang, et al., 1997RCD

(Silver ion (1+) • Benzene) + Benzene = (Silver ion (1+) • 2Benzene)

By formula: (Ag+ • C6H6) + C6H6 = (Ag+ • 2C6H6)

Quantity Value Units Method Reference Comment
ΔrH°39.9 ± 4.5kcal/molRAKHo, Yang, et al., 1997RCD

Aluminum ion (1+) + Benzene = (Aluminum ion (1+) • Benzene)

By formula: Al+ + C6H6 = (Al+ • C6H6)

Quantity Value Units Method Reference Comment
ΔrH°35.1 ± 1.9kcal/molRAKDunbar, Klippenstein, et al., 1996RCD

Gold ion (1+) + Benzene = (Gold ion (1+) • Benzene)

By formula: Au+ + C6H6 = (Au+ • C6H6)

Quantity Value Units Method Reference Comment
ΔrH°70.0kcal/molIMRBSchroeder, Hrusak, et al., 1995RCD

Bismuth ion (1+) + Benzene = (Bismuth ion (1+) • Benzene)

By formula: Bi+ + C6H6 = (Bi+ • C6H6)

Quantity Value Units Method Reference Comment
ΔrH°<35.5kcal/molPDisWilley, Yeh, et al., 1992RCD

Bromine anion + Benzene = (Bromine anion • Benzene)

By formula: Br- + C6H6 = (Br- • C6H6)

Quantity Value Units Method Reference Comment
ΔrH°9.0 ± 2.0kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°17.0cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
ΔrS°17.cal/mol*KN/APaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrG°2.5 ± 1.0kcal/molIMREPaul and Kebarle, 1991gas phase; B
ΔrG°3.9 ± 2.6kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B

Free energy of reaction

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

CH6N+ + Benzene = (CH6N+ • Benzene)

By formula: CH6N+ + C6H6 = (CH6N+ • C6H6)

Quantity Value Units Method Reference Comment
ΔrH°18.8kcal/molPHPMSDeakyne and Meot-Ner (Mautner), 1985gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°25.1cal/mol*KPHPMSDeakyne and Meot-Ner (Mautner), 1985gas phase; M

C2H7O+ + Benzene = (C2H7O+ • Benzene)

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

Quantity Value Units Method Reference Comment
ΔrH°21.kcal/molPHPMSDeakyne and Meot-Ner (Mautner), 1985gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrS°25.cal/mol*KN/ADeakyne and Meot-Ner (Mautner), 1985gas phase; Entropy change calculated or estimated; M

Free energy of reaction

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

C3H3+ + Benzene = (C3H3+ • Benzene)

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

Quantity Value Units Method Reference Comment
ΔrH°9.0kcal/molHPMSField, Hamlet, et al., 1969gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
ΔrS°9.cal/mol*KHPMSField, Hamlet, et al., 1969gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
ΔrG°6.kcal/molHPMSField, Hamlet, et al., 1969gas phase; Entropy change is questionable; M

C3H9Si+ + Benzene = (C3H9Si+ • Benzene)

By formula: C3H9Si+ + C6H6 = (C3H9Si+ • C6H6)

Quantity Value Units Method Reference Comment
ΔrH°23.9kcal/molPHPMSWojtyniak and Stone, 1986gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°34.7cal/mol*KPHPMSWojtyniak and Stone, 1986gas phase; M

C3H10N+ + Benzene = (C3H10N+ • Benzene)

By formula: C3H10N+ + C6H6 = (C3H10N+ • C6H6)

Quantity Value Units Method Reference Comment
ΔrH°15.9kcal/molPHPMSDeakyne and Meot-Ner (Mautner), 1985gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°27.7cal/mol*KPHPMSDeakyne and Meot-Ner (Mautner), 1985gas phase; M

C4H4S+ + Benzene = (C4H4S+ • Benzene)

By formula: C4H4S+ + C6H6 = (C4H4S+ • C6H6)

Quantity Value Units Method Reference Comment
ΔrH°13.kcal/molHPMSField, Hamlet, et al., 1969gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°23.cal/mol*KHPMSField, Hamlet, et al., 1969gas phase; M

C4H9+ + Benzene = (C4H9+ • Benzene)

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

Quantity Value Units Method Reference Comment
ΔrH°22.kcal/molPHPMSSen Sharma, Ikuta, et al., 1982gas phase; forms protonated t-butylbenzene; M
Quantity Value Units Method Reference Comment
ΔrS°49.cal/mol*KPHPMSSen Sharma, Ikuta, et al., 1982gas phase; forms protonated t-butylbenzene; M

C6H5Cl+ + Benzene = (C6H5Cl+ • Benzene)

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

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
ΔrH°14.0kcal/molPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°26.cal/mol*KPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; M

C6H6+ + Benzene = (C6H6+ • Benzene)

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

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
ΔrH°14. ± 8.kcal/molAVGN/AAverage of 7 out of 10 values; Individual data points
Quantity Value Units Method Reference Comment
ΔrS°28.8cal/mol*KPHPMSHiraoka, Fujimaki, et al., 1991gas phase; M
ΔrS°27.cal/mol*KPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; M
ΔrS°23.cal/mol*KHPMSField, Hamlet, et al., 1969gas phase; M

(C6H6+ • Benzene) + Benzene = (C6H6+ • 2Benzene)

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

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
ΔrH°7.8 ± 0.5kcal/molPHPMSHiraoka, Fujimaki, et al., 1991gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°19.8cal/mol*KPHPMSHiraoka, Fujimaki, et al., 1991gas phase; M

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

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

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
ΔrH°7.0kcal/molPHPMSHiraoka, Fujimaki, et al., 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrS°20.cal/mol*KN/AHiraoka, Fujimaki, et al., 1991gas phase; Entropy change calculated or estimated; M

(C6H6+ • 5Benzene) + Benzene = (C6H6+ • 6Benzene)

By formula: (C6H6+ • 5C6H6) + C6H6 = (C6H6+ • 6C6H6)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
ΔrH°8.5kcal/molPDissBeck and Hecht, 1991gas phase; M

(C6H6+ • 6Benzene) + Benzene = (C6H6+ • 7Benzene)

By formula: (C6H6+ • 6C6H6) + C6H6 = (C6H6+ • 7C6H6)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
ΔrH°8.3kcal/molPDissBeck and Hecht, 1991gas phase; M

(C6H6+ • 7Benzene) + Benzene = (C6H6+ • 8Benzene)

By formula: (C6H6+ • 7C6H6) + C6H6 = (C6H6+ • 8C6H6)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
ΔrH°8.0kcal/molPDissBeck and Hecht, 1991gas phase; M

(C6H6+ • 8Benzene) + Benzene = (C6H6+ • 9Benzene)

By formula: (C6H6+ • 8C6H6) + C6H6 = (C6H6+ • 9C6H6)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
ΔrH°7.9kcal/molPDissBeck and Hecht, 1991gas phase; M

(C6H6+ • 9Benzene) + Benzene = (C6H6+ • 10Benzene)

By formula: (C6H6+ • 9C6H6) + C6H6 = (C6H6+ • 10C6H6)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
ΔrH°7.8kcal/molPDissBeck and Hecht, 1991gas phase; M

(C6H6+ • 10Benzene) + Benzene = (C6H6+ • 11Benzene)

By formula: (C6H6+ • 10C6H6) + C6H6 = (C6H6+ • 11C6H6)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
ΔrH°7.8kcal/molPDissBeck and Hecht, 1991gas phase; M

(C6H6+ • 11Benzene) + Benzene = (C6H6+ • 12Benzene)

By formula: (C6H6+ • 11C6H6) + C6H6 = (C6H6+ • 12C6H6)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
ΔrH°8.0kcal/molPDissBeck and Hecht, 1991gas phase; M

(C6H6+ • 12Benzene) + Benzene = (C6H6+ • 13Benzene)

By formula: (C6H6+ • 12C6H6) + C6H6 = (C6H6+ • 13C6H6)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
ΔrH°8.3kcal/molPDissBeck and Hecht, 1991gas phase; M

(C6H6+ • 13Benzene) + Benzene = (C6H6+ • 14Benzene)

By formula: (C6H6+ • 13C6H6) + C6H6 = (C6H6+ • 14C6H6)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
ΔrH°8.1kcal/molPDissBeck and Hecht, 1991gas phase; M

C6H6NO- + 2Benzene = C12H12NO-

By formula: C6H6NO- + 2C6H6 = C12H12NO-

Quantity Value Units Method Reference Comment
ΔrH°17.5 ± 2.3kcal/molN/ALe Barbu, Schiedt, et al., 2002gas phase; Affinity is difference in EAs of lesser solvated species; B

C6H7+ + Benzene = (C6H7+ • Benzene)

By formula: C6H7+ + C6H6 = (C6H7+ • C6H6)

Quantity Value Units Method Reference Comment
ΔrH°11.0kcal/molPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°24.cal/mol*KPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; M

C6H7N+ + Benzene = (C6H7N+ • Benzene)

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

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
ΔrH°11.9kcal/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°22.6cal/mol*KPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; M

C7H8+ + Benzene = (C7H8+ • Benzene)

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

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
ΔrH°12.2kcal/molMPIErnstberger, Krause, et al., 1990gas phase; M
ΔrH°5.5kcal/molPIRuhl, Bisling, et al., 1986gas phase; from vIP of perpendicular dimer; M
ΔrH°12.4kcal/molPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°26.cal/mol*KPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; M

C7H9N+ + Benzene = (C7H9N+ • Benzene)

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

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
ΔrH°12.3kcal/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrS°26.cal/mol*KN/AMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrG°4.6kcal/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M

C8H11N+ + Benzene = (C8H11N+ • Benzene)

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

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
ΔrH°10.0kcal/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrS°26.cal/mol*KN/AMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrG°2.2kcal/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M

C9H12+ + Benzene = (C9H12+ • Benzene)

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

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
ΔrH°10.6kcal/molPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°26.cal/mol*KPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; M

C9H13N+ + Benzene = (C9H13N+ • Benzene)

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

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
ΔrH°11.2kcal/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrS°26.cal/mol*KN/AMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M

Free energy of reaction

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

C10H10Fe+ + Benzene = (C10H10Fe+ • Benzene)

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

Quantity Value Units Method Reference Comment
ΔrH°8.kcal/molPHPMSMeot-Ner (Mautner), 1989gas phase; Entropy change calculated or estimated, ΔrH<, DG<; M
Quantity Value Units Method Reference Comment
ΔrS°20.cal/mol*KN/AMeot-Ner (Mautner), 1989gas phase; Entropy change calculated or estimated, ΔrH<, DG<; M

Free energy of reaction

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

C11H10+ + Benzene = (C11H10+ • Benzene)

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

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
ΔrH°9.0kcal/molPHPMSEl-Shall and Meot-Ner (Mautner), 1987gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°24.0cal/mol*KPHPMSEl-Shall and Meot-Ner (Mautner), 1987gas phase; M

Cadmium ion (1+) + Benzene = (Cadmium ion (1+) • Benzene)

By formula: Cd+ + C6H6 = (Cd+ • C6H6)

Quantity Value Units Method Reference Comment
ΔrH°32.5 ± 4.5kcal/molRAKHo, Yang, et al., 1997RCD

Chlorine anion + Benzene = (Chlorine anion • Benzene)

By formula: Cl- + C6H6 = (Cl- • C6H6)

Quantity Value Units Method Reference Comment
ΔrH°6.00 ± 0.46kcal/molN/ATschurl, Ueberfluss, et al., 2007gas phase; B
ΔrH°9.4 ± 2.0kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
ΔrH°9.90kcal/molIMRELarson and McMahon, 1984gas phase; B,M
ΔrH°8.7kcal/molPHPMSPaul and Kebarle, 1991gas phase; from Ph. D. thesis of S. Chowdhury, Entropy change calculated or estimated; M
ΔrH°10.4kcal/molPHPMSSunner, Nishizawa, et al., 1981gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrS°17.9cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
ΔrS°17.cal/mol*KN/APaul and Kebarle, 1991gas phase; from Ph. D. thesis of S. Chowdhury, Entropy change calculated or estimated; M
ΔrS°17.1cal/mol*KN/ALarson and McMahon, 1984, 2gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; French, Ikuta, et al., 1982; M
ΔrS°22.cal/mol*KN/ASunner, Nishizawa, et al., 1981gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrG°4.0 ± 2.6kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B
ΔrG°3.8 ± 1.6kcal/molIMREChowdhury and Kebarle, 1986gas phase; B
ΔrG°4.8 ± 2.0kcal/molIMRELarson and McMahon, 1984gas phase; B,M
ΔrG°3.80kcal/molIMREFrench, Ikuta, et al., 1982gas phase; B

Free energy of reaction

ΔrG° (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

Cobalt ion (1+) + Benzene = (Cobalt ion (1+) • Benzene)

By formula: Co+ + C6H6 = (Co+ • C6H6)

Quantity Value Units Method Reference Comment
ΔrH°61.2 ± 2.6kcal/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
61.1 (+2.5,-0.) CIDMeyer, Khan, et al., 1995gas phase; guided ion beam CID; M

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

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

Quantity Value Units Method Reference Comment
ΔrH°39.9 ± 3.3kcal/molCIDTMeyer, Khan, et al., 1995RCD
Quantity Value Units Method Reference Comment
ΔrS°27.8cal/mol*KSIDTKemper, Bushnell, et al., 1993gas phase; ΔrS(490 K); M

Enthalpy of reaction

ΔrH° (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; ΔrS(490 K); M

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

By formula: Cr+ + C6H6 = (Cr+ • C6H6)

Quantity Value Units Method Reference Comment
ΔrH°40.2kcal/molMIDLin, Chen, et al., 1997RCD
ΔrH°39.2 ± 3.3kcal/molRAKLin and Dunbar, 1997RCD
ΔrH°40.6 ± 2.4kcal/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

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

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

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

Quantity Value Units Method Reference Comment
ΔrH°50.7 ± 9.1kcal/molRAKLin and Dunbar, 1997RCD
ΔrH°55.4 ± 4.3kcal/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

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

Cesium ion (1+) + Benzene = (Cesium ion (1+) • Benzene)

By formula: Cs+ + C6H6 = (Cs+ • C6H6)

Quantity Value Units Method Reference Comment
ΔrH°15.4 ± 1.2kcal/molCIDTAmicangelo and Armentrout, 2000RCD

(Cesium ion (1+) • Benzene) + Benzene = (Cesium ion (1+) • 2Benzene)

By formula: (Cs+ • C6H6) + C6H6 = (Cs+ • 2C6H6)

Quantity Value Units Method Reference Comment
ΔrH°14.0 ± 1.9kcal/molCIDTAmicangelo and Armentrout, 2000RCD

Copper ion (1+) + Benzene = (Copper ion (1+) • Benzene)

By formula: Cu+ + C6H6 = (Cu+ • C6H6)

Quantity Value Units Method Reference Comment
ΔrH°52.1 ± 2.4kcal/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
52.1 (+2.3,-0.) CIDMeyer, Khan, et al., 1995gas phase; guided ion beam CID; M

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

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

Quantity Value Units Method Reference Comment
ΔrH°37.0 ± 2.9kcal/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

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

Fluorine anion + Benzene = (Fluorine anion • Benzene)

By formula: F- + C6H6 = (F- • C6H6)

Quantity Value Units Method Reference Comment
ΔrH°15.30kcal/molTDAsHiraoka, Mizuse, et al., 1987gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°19.5cal/mol*KPHPMSHiraoka, Mizuse, et al., 1987gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°9.40kcal/molTDAsHiraoka, Mizuse, et al., 1987gas phase; B

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

By formula: Fe+ + C6H6 = (Fe+ • C6H6)

Quantity Value Units Method Reference Comment
ΔrH°47.1kcal/molRAKGapeev and Dunbar, 2002RCD
ΔrH°49.5 ± 2.9kcal/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

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

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

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

Quantity Value Units Method Reference Comment
ΔrH°44.7 ± 3.8kcal/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

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

NH4+ + Benzene = (NH4+ • Benzene)

By formula: H4N+ + C6H6 = (H4N+ • C6H6)

Quantity Value Units Method Reference Comment
ΔrH°19.3kcal/molPHPMSDeakyne and Meot-Ner (Mautner), 1985gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°23.3cal/mol*KPHPMSDeakyne and Meot-Ner (Mautner), 1985gas phase; M

(NH4+ • Benzene) + Benzene = (NH4+ • 2Benzene)

By formula: (H4N+ • C6H6) + C6H6 = (H4N+ • 2C6H6)

Quantity Value Units Method Reference Comment
ΔrH°17.0kcal/molPHPMSLiebman, Romm, et al., 1991gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°30.5cal/mol*KPHPMSLiebman, Romm, et al., 1991gas phase; M

(NH4+ • 2Benzene) + Benzene = (NH4+ • 3Benzene)

By formula: (H4N+ • 2C6H6) + C6H6 = (H4N+ • 3C6H6)

Quantity Value Units Method Reference Comment
ΔrH°14.2kcal/molPHPMSLiebman, Romm, et al., 1991gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°32.9cal/mol*KPHPMSLiebman, Romm, et al., 1991gas phase; M

Iodide + Benzene = (Iodide • Benzene)

By formula: I- + C6H6 = (I- • C6H6)

Quantity Value Units Method Reference Comment
ΔrH°6.1 ± 2.0kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
ΔrH°9.1 ± 1.0kcal/molTDAsCaldwell, Masucci, et al., 1989gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°14.2cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°1.8 ± 2.6kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B

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

By formula: K+ + C6H6 = (K+ • C6H6)

Quantity Value Units Method Reference Comment
ΔrH°17.5 ± 0.9kcal/molCIDTAmicangelo and Armentrout, 2000RCD
ΔrH°19.2kcal/molHPMSSunner, Nishizawa, et al., 1981gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°24.6cal/mol*KHPMSSunner, Nishizawa, et al., 1981gas phase; M

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

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

Quantity Value Units Method Reference Comment
ΔrH°16.1 ± 1.7kcal/molCIDTAmicangelo and Armentrout, 2000RCD
ΔrH°18.8kcal/molHPMSSunner, Nishizawa, et al., 1981gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°33.9cal/mol*KHPMSSunner, Nishizawa, et al., 1981gas phase; M

(Potassium ion (1+) • 2Benzene) + Benzene = (Potassium ion (1+) • 3Benzene)

By formula: (K+ • 2C6H6) + C6H6 = (K+ • 3C6H6)

Quantity Value Units Method Reference Comment
ΔrH°14.5kcal/molHPMSSunner, Nishizawa, et al., 1981gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°32.7cal/mol*KHPMSSunner, Nishizawa, et al., 1981gas phase; M

(Potassium ion (1+) • 3Benzene) + Benzene = (Potassium ion (1+) • 4Benzene)

By formula: (K+ • 3C6H6) + C6H6 = (K+ • 4C6H6)

Quantity Value Units Method Reference Comment
ΔrH°12.6kcal/molHPMSSunner, Nishizawa, et al., 1981gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°41.4cal/mol*KHPMSSunner, Nishizawa, et al., 1981gas phase; M

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

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

Quantity Value Units Method Reference Comment
ΔrH°14.4kcal/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
ΔrS°30.1cal/mol*KHPMSSunner, Nishizawa, et al., 1981gas phase; From thermochemical cycle,switching reaction(K+ 3H2O)C6H6, Searles and Kebarle, 1969; M

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

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

Quantity Value Units Method Reference Comment
ΔrH°12.8kcal/molHPMSSunner, Nishizawa, et al., 1981gas phase; switching reaction(K+ 3H2O)C6H6; Searles and Kebarle, 1969; M
Quantity Value Units Method Reference Comment
ΔrS°33.7cal/mol*KHPMSSunner, Nishizawa, et al., 1981gas phase; switching reaction(K+ 3H2O)C6H6; Searles and Kebarle, 1969; M

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

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

Quantity Value Units Method Reference Comment
ΔrH°16.8kcal/molHPMSSunner, Nishizawa, et al., 1981gas phase; switching reaction(K+)2H2O; Searles and Kebarle, 1969; M
Quantity Value Units Method Reference Comment
ΔrS°27.1cal/mol*KHPMSSunner, Nishizawa, et al., 1981gas phase; switching reaction(K+)2H2O; Searles and Kebarle, 1969; M

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

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

Quantity Value Units Method Reference Comment
ΔrH°13.4kcal/molHPMSSunner, Nishizawa, et al., 1981gas phase; switching reaction(K+)3H2O; Searles and Kebarle, 1969; M
Quantity Value Units Method Reference Comment
ΔrS°24.3cal/mol*KHPMSSunner, Nishizawa, et al., 1981gas phase; switching reaction(K+)3H2O; Searles and Kebarle, 1969; M

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

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

Quantity Value Units Method Reference Comment
ΔrH°12.6kcal/molHPMSSunner, Nishizawa, et al., 1981gas phase; switching reaction(K+)4H2O; Searles and Kebarle, 1969; M
Quantity Value Units Method Reference Comment
ΔrS°27.6cal/mol*KHPMSSunner, Nishizawa, et al., 1981gas phase; switching reaction(K+)4H2O; Searles and Kebarle, 1969; M

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

By formula: Li+ + C6H6 = (Li+ • C6H6)

Quantity Value Units Method Reference Comment
ΔrH°38.5 ± 3.2kcal/molCIDTAmicangelo and Armentrout, 2000RCD
ΔrH°37.9kcal/molICRWoodin and Beauchamp, 1978gas phase; switching reaction(Li+)H2O, Entropy change calculated or estimated; Dzidic and Kebarle, 1970 extrapolated; M
ΔrH°36.5kcal/molICRStaley and Beauchamp, 1975gas phase; switching reaction(Li+)H2O, from graph; Dzidic and Kebarle, 1970 extrapolated; M
Quantity Value Units Method Reference Comment
ΔrS°27.5cal/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
ΔrG°29.7kcal/molICRWoodin and Beauchamp, 1978gas phase; switching reaction(Li+)H2O, Entropy change calculated or estimated; Dzidic and Kebarle, 1970 extrapolated; M

(Lithium ion (1+) • Benzene) + Benzene = (Lithium ion (1+) • 2Benzene)

By formula: (Li+ • C6H6) + C6H6 = (Li+ • 2C6H6)

Quantity Value Units Method Reference Comment
ΔrH°24.9 ± 1.7kcal/molCIDTAmicangelo and Armentrout, 2000RCD

Magnesium ion (1+) + Benzene = (Magnesium ion (1+) • Benzene)

By formula: Mg+ + C6H6 = (Mg+ • C6H6)

Quantity Value Units Method Reference Comment
ΔrH°32.0 ± 2.3kcal/molCIDTAndersen, Muntean, et al., 2000RCD
ΔrH°37.0kcal/molRAKGapeev and Dunbar, 2000RCD

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

By formula: Mn+ + C6H6 = (Mn+ • C6H6)

Quantity Value Units Method Reference Comment
ΔrH°34.4kcal/molMIDLin, Chen, et al., 1997RCD
ΔrH°31.8 ± 2.2kcal/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

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

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

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

Quantity Value Units Method Reference Comment
ΔrH°48.5 ± 3.8kcal/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

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

Nitric oxide anion + Benzene = C6H6NO-

By formula: NO- + C6H6 = C6H6NO-

Quantity Value Units Method Reference Comment
ΔrH°9.5 ± 2.3kcal/molN/ALe Barbu, Schiedt, et al., 2002gas phase; Affinity is difference in EAs of lesser solvated species; B

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

By formula: NO- + C6H6 = (NO- • C6H6)

Quantity Value Units Method Reference Comment
ΔrH°41.1kcal/molICRReents and Freiser, 1981gas phase; switching reaction,Thermochemical ladder(NO+)C2H5OH, Entropy change calculated or estimated; Farid and McMahon, 1978; M

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

By formula: Na+ + C6H6 = (Na+ • C6H6)

Quantity Value Units Method Reference Comment
ΔrH°22.8 ± 1.4kcal/molCIDCAmicangelo and Armentrout, 2001Anchor NH3=24.41; RCD
ΔrH°21.1 ± 1.2kcal/molCIDTAmicangelo and Armentrout, 2000RCD
ΔrH°21.1 ± 1.1kcal/molCIDTArmentrout and Rodgers, 2000RCD
ΔrH°28.0kcal/molHPMSGuo, Purnell, et al., 1990gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°31.2cal/mol*KHPMSGuo, Purnell, et al., 1990gas phase; M

Free energy of reaction

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

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

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

Quantity Value Units Method Reference Comment
ΔrH°20. ± 1.kcal/molAVGN/AAverage of 7 values; Individual data points

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

By formula: Ni+ + C6H6 = (Ni+ • C6H6)

Quantity Value Units Method Reference Comment
ΔrH°58.1 ± 2.6kcal/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

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

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

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

Quantity Value Units Method Reference Comment
ΔrH°35.1 ± 2.9kcal/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

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

Oxygen anion + Benzene = C6H6O2-

By formula: O2- + C6H6 = C6H6O2-

Quantity Value Units Method Reference Comment
ΔrH°14.1 ± 2.3kcal/molN/ALe Barbu, Schiedt, et al., 2002gas phase; Affinity is difference in EAs of lesser solvated species; B

Lead ion (1+) + Benzene = (Lead ion (1+) • Benzene)

By formula: Pb+ + C6H6 = (Pb+ • C6H6)

Quantity Value Units Method Reference Comment
ΔrH°26.2kcal/molPHPMSGuo, Purnell, et al., 1990gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°21.6cal/mol*KPHPMSGuo, Purnell, et al., 1990gas phase; M

Rubidium ion (1+) + Benzene = (Rubidium ion (1+) • Benzene)

By formula: Rb+ + C6H6 = (Rb+ • C6H6)

Quantity Value Units Method Reference Comment
ΔrH°16.4 ± 0.9kcal/molCIDTAmicangelo and Armentrout, 2000RCD

(Rubidium ion (1+) • Benzene) + Benzene = (Rubidium ion (1+) • 2Benzene)

By formula: (Rb+ • C6H6) + C6H6 = (Rb+ • 2C6H6)

Quantity Value Units Method Reference Comment
ΔrH°15.0 ± 1.9kcal/molCIDTAmicangelo and Armentrout, 2000RCD

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

By formula: Ti+ + C6H6 = (Ti+ • C6H6)

Quantity Value Units Method Reference Comment
ΔrH°50.9kcal/molRAKGapeev and Dunbar, 2002RCD
ΔrH°61.9 ± 2.2kcal/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

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

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

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

Quantity Value Units Method Reference Comment
ΔrH°60.5 ± 4.3kcal/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

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

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

By formula: V+ + C6H6 = (V+ • C6H6)

Quantity Value Units Method Reference Comment
ΔrH°>55.kcal/molRAKGapeev and Dunbar, 2002RCD
ΔrH°55.9 ± 2.4kcal/molCIDTMeyer, Khan, et al., 1995RCD

Enthalpy of reaction

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

(Vanadium ion (1+) • Benzene) + Benzene = (Vanadium ion (1+) • 2Benzene)

By formula: (V+ • C6H6) + C6H6 = (V+ • 2C6H6)

Quantity Value Units Method Reference Comment
ΔrH°58.8 ± 4.4kcal/molCIDMeyer, Khan, et al., 1995gas phase; ΔrH(0k), guided ion beam CID; M,RCD

(V- • Benzene, fluoro-) + Benzene = (V- • Benzene • Benzene, fluoro-)

By formula: (V- • C6H5F) + C6H6 = (V- • C6H6 • C6H5F)

Quantity Value Units Method Reference Comment
ΔrH°3. ± 15.kcal/molN/AJudai, Hirano, et al., 1997gas phase; B

IR Spectrum

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, References, Notes

Data compiled by: Coblentz Society, Inc.

Data compiled by: Tanya L. Myers, Russell G. Tonkyn, Ashley M. Oeck, Tyler O. Danby, John S. Loring, Matthew S. Taubman, Stephen W. Sharpe, Jerome C. Birnbaum, and Timothy J. Johnson

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Data compiled by: Pamela M. Chu, Franklin R. Guenther, George C. Rhoderick, and Walter J. Lafferty

References

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Notes

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

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Landrieu, Baylocq, et al., 1929
Landrieu, P.; Baylocq, F.; Johnson, J.R., Etude thermochimique dans la serie furanique, Bull. Soc. Chim. France, 1929, 45, 36-49. [all data]

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Thermodynamics Research Center, Selected Values of Properties of Chemical Compounds., Thermodynamics Research Center, Texas A&M University, College Station, Texas, 1997. [all data]

Todd S.S., 1978
Todd S.S., Vapor-flow calorimetry of benzene, J. Chem. Thermodyn., 1978, 10, 641-648. [all data]

Montgomery J.B., 1942
Montgomery J.B., The heat capacity of organic vapors. IV. Benzene, fluorobenzene, toluene, cyclohexane, methylcyclohexane and cyclohexene, J. Am. Chem. Soc., 1942, 64, 2375-2377. [all data]

Pitzer K.S., 1943
Pitzer K.S., The thermodynamics and molecular structure of benzene and its methyl derivatives, J. Am. Chem. Soc., 1943, 65, 803-829. [all data]

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Tschurl, Ueberfluss, et al., 2007
Tschurl, M.; Ueberfluss, C.; Boesl, U., Anion photoelectron, photodetachment, and infrared dissociation spectra of Cl-center dot C6H6, Chem. Phys. Lett., 2007, 439, 1-3, 23-28, https://doi.org/10.1016/j.cplett.2007.03.059 . [all data]

Hiraoka, Mizuse, et al., 1988
Hiraoka, K.; Mizuse, S.; Yamabe, S., Determination of the Stabilities and Structures of X-(C6H6) Clusters (X = Cl, Br, and I), Chem. Phys. Lett., 1988, 147, 2-3, 174, https://doi.org/10.1016/0009-2614(88)85078-4 . [all data]

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

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]

Davico, Bierbaum, et al., 1995
Davico, G.E.; Bierbaum, V.M.; Depuy, C.H.; Ellison, G.B.; Squires, R.R., The C-H bond energy of benzene, J. Am. Chem. Soc., 1995, 117, 9, 2590, https://doi.org/10.1021/ja00114a023 . [all data]

Ervin and DeTuro, 2002
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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
Gunion, R.F.; Gilles, M.K.; Polak, M.L.; Lineberger, W.C., Ultraviolet Photoelectron Spectroscopy of the Phenide, Benzyl, and Phenoxide Anions., Int. J. Mass Spectrom. Ion Proc., 1992, 117, 601, https://doi.org/10.1016/0168-1176(92)80115-H . [all data]

Meot-ner and Sieck, 1986
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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]

Bohme and Young, 1971
Bohme, D.K.; Young, L.B., Electron affinities from thermal proton transfer reactions: C6H5 and C6H5CH2, Can. J. Chem., 1971, 49, 2918. [all data]

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
Meot-Ner (Mautner), M.; Hamlet, P.; Hunter, E.P.; Field, F.H., Bonding Energies in Association Ions of Aromatic Molecules. Correlations with Ionization Energies, J. Am. Chem. Soc., 1978, 100, 17, 5466, https://doi.org/10.1021/ja00485a034 . [all data]

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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Amicangelo, J.C.; Armentrout, P.B., Absolute Binding Energies of Alkali-Metal Cation Complexes with Benzene Determined by Threshold Collision-Induced Dissociation Experiments and Ab Initio Theory, J. Phys. Chem. A, 2000, 104, 48, 11420, https://doi.org/10.1021/jp002652f . [all data]

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
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]

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]

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]

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]

Guo, Purnell, et al., 1990
Guo, B.C.; Purnell, J.W.; Castleman, A.W., The Clustering Reactions of Benzene with Sodium and Lead Ions, Chem. Phys. Lett., 1990, 168, 2, 155, https://doi.org/10.1016/0009-2614(90)85122-S . [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]

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Notes

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