Toluene

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Gas phase thermochemistry data

Go To: Top, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), 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
Δfgas50.1 ± 1.1kJ/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
Δfgas50.00 ± 0.63kJ/molCcbProsen, Gilmont, et al., 1945Hf by Prosen, Johnson, et al., 1946; ALS
Δfgas48.0kJ/molN/ASchmidlin, 1906Value computed using ΔfHliquid° value of 10.0 kj/mol from Schmidlin, 1906 and ΔvapH° value of 38.0 kj/mol from Prosen, Gilmont, et al., 1945.; DRB

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
69.85200.Draeger, 1985Recommended values agree better with experimental heat capacities than results of calculation [ Chao J., 1984]. All other statistically calculated values [ Pitzer K.S., 1943, Taylor W.J., 1946, Scott D.W., 1962] are in close agreement with selected ones, except for high temperatures.; GT
94.68273.15
103.7 ± 0.4298.15
104.4300.
139.9400.
170.8500.
196.2600.
217.0700.
234.3800.
248.9900.
261.21000.
271.81100.
280.81200.
288.51300.
295.21400.
301.01500.

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
130.08 ± 0.26371.20Scott D.W., 1962Please also see Montgomery J.B., 1942, Pitzer K.S., 1943, Taylor W.J., 1946.; GT
140.2390.
137.2 ± 1.3393.
138.87 ± 0.27396.20
146.4410.
149.16 ± 0.30427.20
149.4 ± 1.7428.
160.33 ± 0.32462.20
159.0 ± 1.7463.
171.46 ± 0.34500.20

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Ion clustering data, Mass spectrum (electron ionization), 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 C7H8+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)8.828 ± 0.001eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)784.0kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity756.3kJ/molN/AHunter and Lias, 1998HL

Proton affinity at 298K

Proton affinity (kJ/mol) Reference Comment
782.4Aue, Guidoni, et al., 2000Experimental literature data re-evaluated by the authors using ab initio protonation entropies; MM

Gas basicity at 298K

Gas basicity (review) (kJ/mol) Reference Comment
753.5Aue, 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
8.8276 ± 0.0006TELu, Eiden, et al., 1992LL
8.79PEKlasinc, Kovac, et al., 1983LBLHLM
8.80 ± 0.07EISelim and Helal, 1982LBLHLM
8.83PEKimura, Katsumata, et al., 1981LLK
8.82EIMcLoughlin, Morrison, et al., 1979LLK
8.82PETraeger and McLoughlin, 1978LLK
8.82PITraeger and McLoughlin, 1978LLK
8.82 ± 0.01EQLias and Ausloos, 1978LLK
8.84PEBock, Kaim, et al., 1978LLK
8.82PEBehan, Johnstone, et al., 1976LLK
8.81EIHoffman, 1974LLK
8.80PEMcLean, 1973LLK
8.78 ± 0.02PEMaier and Turner, 1973LLK
8.91CTSKobayashi, Kobayashi, et al., 1973LLK
8.8 ± 0.1EIGilbert, Leach, et al., 1973LLK
8.72PEDebies and Rabalais, 1973LLK
8.67EICooks, Bertrand, et al., 1973LLK
8.82PIStebbings and Taylor, 1972LLK
8.89 ± 0.03EIJohnstone and Mellon, 1972LLK
8.71CTSPitt, 1970RDSH
8.82PEDewar and Worley, 1969RDSH
8.80 ± 0.04EIBock, Seidl, et al., 1968RDSH
8.82 ± 0.02PIAkopyan and Vilesov, 1968RDSH
8.82PIBralsford, Harris, et al., 1960RDSH
8.82 ± 0.01PIWatanabe, 1954RDSH
8.82 ± 0.05SPrice and Walsh, 1947RDSH
8.82PEHowell, Goncalves, et al., 1984Vertical value; LBLHLM
8.85PEKobayashi, 1978Vertical value; LLK
9.00PEKlasinc, Novak, et al., 1978Vertical value; LLK
8.90 ± 0.03PEMarschner and Goetz, 1974Vertical value; LLK
8.82PEBischof, Dewar, et al., 1974Vertical value; LLK
8.85 ± 0.015PEKobayashi and Nagakura, 1972Vertical value; LLK
9.0 ± 0.03PEKlessinger, 1972Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C5H5+16.4 ± 0.2C2H2+HEITajima and Tsuchiya, 1973LLK
C5H5+16.7?EIHarrison, Haynes, et al., 1965RDSH
C6H5+13.70CH3EIHoffman, 1974LLK
C6H5+13.7 ± 0.1CH3EIMajer and Patrick, 1962RDSH
C7H7+10.94HTRPIHuang and Dunbar, 1991T = 0K; LL
C7H7+10.70 ± 0.09HEISelim and Helal, 1982LBLHLM
C7H7+10.71HEIMcLoughlin, Morrison, et al., 1979LLK
C7H7+10.71HPITraeger and McLoughlin, 1978LLK
C7H7+10.71 ± 0.03HTETraeger and McLoughlin, 1977LLK
C7H7+11.8HEIHoffman, 1974LLK
C7H7+11.55 ± 0.05HPIAkopyan and Vilesov, 1968RDSH
C7H7+11.7 ± 0.1HEINounou, 1966RDSH
C7H7+[C6H5CH2+]10.7 ± 0.1HPILifshitz, Gotkis, et al., 1993T = 298K; LL
C7H7+[C6H5CH2+]11.1 ± 0.1HPILifshitz, Gotkis, et al., 1993T = 0K; LL
C7H7+[C6H5CH2+]11.1HPILifshitz, Gotkis, et al., 1993, 2T = 0K; LL
C7H7+[C6H5CH2+]11.17 ± 0.10HPIPECOBombach, Dannacher, et al., 1983T = 0K; LBLHLM
C7H7+[C6H5CH2+]11.17 ± 0.10HPIPECOBombach, Dannacher, et al., 1983, 2T = 0K; LBLHLM
C7H7+[c-C7H7+]11.1 ± 0.1HPILifshitz, Gotkis, et al., 1993T = 0K; LL
C7H7+[c-C7H7+]10.7 ± 0.1HPILifshitz, Gotkis, et al., 1993T = 298K; LL
C7H7+[c-C7H7+]11.1HPILifshitz, Gotkis, et al., 1993, 2T = 0K; LL
C7H7+[c-C7H7+]10.52 ± 0.07HPIPECOBombach, Dannacher, et al., 1983T = 0K; LBLHLM
C7H7+[c-C7H7+]10.52 ± 0.10HPIPECOBombach, Dannacher, et al., 1983, 2T = 0K; LBLHLM

De-protonation reactions

C7H7- + Hydrogen cation = Toluene

By formula: C7H7- + H+ = C7H8

Quantity Value Units Method Reference Comment
Δr1599.7 ± 1.9kJ/molD-EAGunion, Gilles, et al., 1992gas phase; Kim, Wenthold, et al., 1999, with LN2 cooling of the ion, gives the same EA; B
Δr1593. ± 8.8kJ/molG+TSBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
Δr1587. ± 8.8kJ/molG+TSGal, Decouzon, et al., 2001gas phase; B
Δr1577. ± 15.kJ/molCIDTGraul and Squires, 1990gas phase; B
Δr1609. ± 30.kJ/molG+TSBohme and Young, 1971gas phase; B
Quantity Value Units Method Reference Comment
Δr1564. ± 8.4kJ/molIMREBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
Δr1557. ± 8.4kJ/molIMREGal, Decouzon, et al., 2001gas phase; B
Δr1579. ± 29.kJ/molIMRBBohme and Young, 1971gas phase; B

Ion clustering data

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), 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. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

Bromine anion + Toluene = (Bromine anion • Toluene)

By formula: Br- + C7H8 = (Br- • C7H8)

Quantity Value Units Method Reference Comment
Δr36. ± 7.5kJ/molIMREPaul and Kebarle, 1991gas phase; ΔGaff measured at 303 K, corrected to 423 K, ΔSaff taken as that of PhNO2..Br-; B,M
Quantity Value Units Method Reference Comment
Δr84.J/mol*KN/APaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr0.4 ± 4.2kJ/molIMREPaul and Kebarle, 1991gas phase; ΔGaff measured at 303 K, corrected to 423 K, ΔSaff taken as that of PhNO2..Br-; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
0.4423.PHPMSPaul and Kebarle, 1991gas phase; Entropy change calculated or estimated; M

C3H9Si+ + Toluene = (C3H9Si+ • Toluene)

By formula: C3H9Si+ + C7H8 = (C3H9Si+ • C7H8)

Quantity Value Units Method Reference Comment
Δr119.kJ/molPHPMSStone and Stone, 1991gas phase; forms pi complex; M
Δr131.kJ/molPHPMSStone and Stone, 1991gas phase; toluene D8, forms pi complex; M
Δr111.kJ/molPHPMSWojtyniak and Stone, 1986gas phase; switching reaction,Thermochemical ladder((CH3)3Si+)C6H6, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr146.J/mol*KN/AWojtyniak and Stone, 1986gas phase; switching reaction,Thermochemical ladder((CH3)3Si+)C6H6, Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
43.1468.PHPMSWojtyniak and Stone, 1986gas phase; switching reaction,Thermochemical ladder((CH3)3Si+)C6H6, Entropy change calculated or estimated; M

C4H9+ + Toluene = (C4H9+ • Toluene)

By formula: C4H9+ + C7H8 = (C4H9+ • C7H8)

Quantity Value Units Method Reference Comment
Δr120.kJ/molPHPMSStone and Stone, 1991gas phase; toluene D8, forms protonated t-butyltoluene; M
Δr122.kJ/molPHPMSStone and Stone, 1991gas phase; forms protomated t-butyltoluene; M
Quantity Value Units Method Reference Comment
Δr228.J/mol*KPHPMSStone and Stone, 1991gas phase; toluene D8, forms protonated t-butyltoluene; M
Δr228.J/mol*KPHPMSStone and Stone, 1991gas phase; forms protomated t-butyltoluene; M

C6H7N+ + Toluene = (C6H7N+ • Toluene)

By formula: C6H7N+ + C7H8 = (C6H7N+ • C7H8)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Δr57.3kJ/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; M
Quantity Value Units Method Reference Comment
Δr109.J/mol*KPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; M

C7H8+ + Toluene = (C7H8+ • Toluene)

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

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Δr60.7kJ/molMPIErnstberger, Krause, et al., 1990gas phase; M
Δr23.kJ/molPIRuhl, Bisling, et al., 1986gas phase; from vIP of perpendicular dimer; M
Δr66.9kJ/molPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; M
Quantity Value Units Method Reference Comment
Δr120.J/mol*KPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; M

C9H12+ + Toluene = (C9H12+ • Toluene)

By formula: C9H12+ + C7H8 = (C9H12+ • C7H8)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Δr50.2kJ/molPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; M
Quantity Value Units Method Reference Comment
Δr110.J/mol*KPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; M

Chlorine anion + Toluene = (Chlorine anion • Toluene)

By formula: Cl- + C7H8 = (Cl- • C7H8)

Quantity Value Units Method Reference Comment
Δr16.7kJ/molTDEqFrench, Ikuta, et al., 1982gas phase; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
17.300.PHPMSFrench, Ikuta, et al., 1982gas phase; M

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

By formula: Cr+ + C7H8 = (Cr+ • C7H8)

Quantity Value Units Method Reference Comment
Δr176. ± 14.kJ/molRAKLin and Dunbar, 1997RCD

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

By formula: (Cr+ • C7H8) + C7H8 = (Cr+ • 2C7H8)

Quantity Value Units Method Reference Comment
Δr222. ± 38.kJ/molRAKLin and Dunbar, 1997RCD

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

By formula: Cs+ + C7H8 = (Cs+ • C7H8)

Quantity Value Units Method Reference Comment
Δr64.0 ± 4.6kJ/molCIDTAmunugama and Rodgers, 2002RCD

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

By formula: (Cs+ • C7H8) + C7H8 = (Cs+ • 2C7H8)

Quantity Value Units Method Reference Comment
Δr61.5 ± 4.2kJ/molCIDTAmunugama and Rodgers, 2002RCD

Iodide + Toluene = (Iodide • Toluene)

By formula: I- + C7H8 = (I- • C7H8)

Quantity Value Units Method Reference Comment
Δr46.0 ± 4.2kJ/molTDAsCaldwell, Masucci, et al., 1989gas phase; B,M

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

By formula: K+ + C7H8 = (K+ • C7H8)

Quantity Value Units Method Reference Comment
Δr79.9 ± 5.0kJ/molCIDTAmunugama and Rodgers, 2002RCD

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

By formula: (K+ • C7H8) + C7H8 = (K+ • 2C7H8)

Quantity Value Units Method Reference Comment
Δr74.9 ± 4.6kJ/molCIDTAmunugama and Rodgers, 2002RCD

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

By formula: Li+ + C7H8 = (Li+ • C7H8)

Quantity Value Units Method Reference Comment
Δr183. ± 17.kJ/molCIDTAmunugama and Rodgers, 2002RCD

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

By formula: (Li+ • C7H8) + C7H8 = (Li+ • 2C7H8)

Quantity Value Units Method Reference Comment
Δr116. ± 3.kJ/molCIDTAmunugama and Rodgers, 2002RCD

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

By formula: NO- + C7H8 = (NO- • C7H8)

Quantity Value Units Method Reference Comment
Δr185.kJ/molICRReents and Freiser, 1981gas phase; switching reaction,Thermochemical ladder(NO+)C2H5OH, Entropy change calculated or estimated; Farid and McMahon, 1978; M

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

By formula: Na+ + C7H8 = (Na+ • C7H8)

Quantity Value Units Method Reference Comment
Δr112. ± 3.kJ/molCIDTAmunugama and Rodgers, 2002RCD

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

By formula: (Na+ • C7H8) + C7H8 = (Na+ • 2C7H8)

Quantity Value Units Method Reference Comment
Δr87. ± 2.kJ/molCIDTAmunugama and Rodgers, 2002RCD

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

By formula: Rb+ + C7H8 = (Rb+ • C7H8)

Quantity Value Units Method Reference Comment
Δr71.1 ± 4.2kJ/molCIDTAmunugama and Rodgers, 2002RCD

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

By formula: (Rb+ • C7H8) + C7H8 = (Rb+ • 2C7H8)

Quantity Value Units Method Reference Comment
Δr67.8 ± 4.2kJ/molCIDTAmunugama and Rodgers, 2002RCD

Mass spectrum (electron ionization)

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

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

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

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References

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), Notes

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

Roux, Temprado, et al., 2008
Roux, M.V.; Temprado, M.; Chickos, J.S.; Nagano, Y., Critically Evaluated Thermochemical Properties of Polycyclic Aromatic Hydrocarbons, J. Phys. Chem. Ref. Data, 2008, 37, 4, 1855-1996. [all data]

Prosen, Gilmont, et al., 1945
Prosen, E.J.; Gilmont, R.; Rossini, F.D., Heats of combustion of benzene, toluene, ethyl-benzene, o-xylene, m-xylene, p-xylene, n-propylbenzene, and styrene, J. Res. NBS, 1945, 34, 65-70. [all data]

Prosen, Johnson, et al., 1946
Prosen, E.J.; Johnson, W.H.; Rossini, F.D., Heats of combustion and formation at 25°C of the alkylbenzenes through C10H14, and of the higher normal monoalkylbenzenes, J. Res. NBS, 1946, 36, 455-461. [all data]

Schmidlin, 1906
Schmidlin, M.J., Recherches chimiques et thermochimiques sur la constitution des rosanilines, Ann. Chim. Phys., 1906, 1, 195-256. [all data]

Draeger, 1985
Draeger, J.A., The methylbenzenes II. Fundamental vibrational shifts, statistical thermodynamic functions, and properties of formation, J. Chem. Thermodyn., 1985, 17, 263-275. [all data]

Chao J., 1984
Chao J., Chemical thermodynamic properties of toluene, o-, m- and p-xylenes, Thermochim. Acta, 1984, 72, 323-334. [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]

Taylor W.J., 1946
Taylor W.J., Heats, equilibrium constants, and free energies of formation of the alkylbenzenes, J. Res. Nat. Bur. Stand., 1946, 37, 95-122. [all data]

Scott D.W., 1962
Scott D.W., Toluene: thermodynamic properties, molecular vibrations, and internal rotation, J. Phys. Chem., 1962, 66, 911-914. [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]

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Aue, Guidoni, et al., 2000
Aue, D.H.; Guidoni, M.; Betowski, L.D., Ab initio calculated gas-phase basicities of polynuclear aromatic hydrocarbons, Int. J. Mass Spectrom., 2000, 201, 283. [all data]

Lu, Eiden, et al., 1992
Lu, K.-T.; Eiden, G.C.; Weisshaar, J.C., Toluene cation: nearly free rotation of the methyl group, J. Phys. Chem., 1992, 96, 9742. [all data]

Klasinc, Kovac, et al., 1983
Klasinc, L.; Kovac, B.; Gusten, H., Photoelectron spectra of acenes. Electronic structure and substituent effects, Pure Appl. Chem., 1983, 55, 289. [all data]

Selim and Helal, 1982
Selim, E.T.M.; Helal, A.I., The study of C1-C3 monosubstituted alkyl benzenes by the inverse convolution of first differential ionization efficiency curves, Org. Mass Spectrom., 1982, 17, 539. [all data]

Kimura, Katsumata, et al., 1981
Kimura, K.; Katsumata, S.; Achiba, Y.; Yamazaki, T.; Iwata, S., Ionization energies, Ab initio assignments, and valence electronic structure for 200 molecules in Handbook of HeI Photoelectron Spectra of Fundamental Organic Compounds, Japan Scientific Soc. Press, Tokyo, 1981. [all data]

McLoughlin, Morrison, et al., 1979
McLoughlin, R.G.; Morrison, J.D.; Traeger, J.C., Photoionization of the C-1 - C-4 monosubstituted alkyl benzenes: Thermochemistry of [C7H7]+ and [C8H9]+ formation, Org. Mass Spectrom., 1979, 14, 104. [all data]

Traeger and McLoughlin, 1978
Traeger, J.C.; McLoughlin, R.G., A photoionization study of the energetics of C7H7+ ion formed from C7H8 precursors, Int. J. Mass Spectrom. Ion Phys., 1978, 27, 319. [all data]

Lias and Ausloos, 1978
Lias, S.G.; Ausloos, P.J., eIonization energies of organic compounds by equilibrium measurements, J. Am. Chem. Soc., 1978, 100, 6027. [all data]

Bock, Kaim, et al., 1978
Bock, H.; Kaim, W.; Rohwer, H.E., Die hyperkonjugative Stabilisierung von p-Xylol-Radikalkationen durch (H3C)3Si-Substituenten, Chem. Ber., 1978, 111, 3573. [all data]

Behan, Johnstone, et al., 1976
Behan, J.M.; Johnstone, R.A.W.; Bentley, T.W., An evaluation of empirical methods for calculating the ionization potentials of substituted benzenes, Org. Mass Spectrom., 1976, 11, 207. [all data]

Hoffman, 1974
Hoffman, M.K., Hidden rearrangements in the mass spectral decomposition of cycloheptatriene, Z. Naturforsch. A:, 1974, 29, 1077. [all data]

McLean, 1973
McLean, R.A.N., The bonding of a silicon atom with a phenyl ring: The photoelectron spectrum of phenylsilane, Can. J. Chem., 1973, 51, 2089. [all data]

Maier and Turner, 1973
Maier, J.P.; Turner, D.W., Steric inhibition of resonance studied by molecular photoelectron spectroscopy. Part 2. Phenylethylenes, J. Chem. Soc. Faraday Trans. 2, 1973, 69, 196. [all data]

Kobayashi, Kobayashi, et al., 1973
Kobayashi, H.; Kobayashi, M.; Kaizu, Y., Molecular complexes of arenetricarbonylchromium, Bull. Chem. Soc. Jpn., 1973, 46, 3109. [all data]

Gilbert, Leach, et al., 1973
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Notes

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