Benzene - The NIST WebBook

Benzene

• Formula: C6H6
• Molecular weight: 78.1118
• IUPAC Standard InChI: InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H Copy
• IUPAC Standard InChIKey: UHOVQNZJYSORNB-UHFFFAOYSA-N Copy
• CAS Registry Number: 71-43-2
• Chemical structure: This structure is also available as a 2d Mol file or as a computed 3d SD file View 3d structure (requires JavaScript / HTML 5)
• Isotopologues:
  • Benzene-D6
• Other names: [6]Annulene; Benzol; Benzole; Coal naphtha; Cyclohexatriene; Phenyl hydride; Pyrobenzol; Pyrobenzole; Benzolene; Bicarburet of hydrogen; Carbon oil; Mineral naphtha; Motor benzol; Benzeen; Benzen; Benzin; Benzine; Benzolo; Fenzen; NCI-C55276; Phene; Rcra waste number U019; UN 1114; NSC 67315; 1,3,5-Cyclohexatriene
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Gas phase ion energetics data
  • References
  • Notes
• Other data available:
  • Gas phase thermochemistry data
  • Condensed phase thermochemistry data
  • Phase change data
  • Reaction thermochemistry data: reactions 1 to 50, reactions 51 to 99
  • Henry's Law data
  • Ion clustering data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • UV/Visible spectrum
  • Vibrational and/or electronic energy levels
  • Gas Chromatography
  • Fluid Properties
• Data at other public NIST sites:
  • Electron-Impact Ionization Cross Sections (on physics web site)
  • Gas Phase Kinetics Database
  • X-ray Photoelectron Spectroscopy Database, version 5.0
  • NIST Polycyclic Aromatic Hydrocarbon Structure Index
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Gas phase ion energetics data

Go To: Top, 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 ± 0.00007	eV	N/A	N/A	L
Quantity	Value	Units	Method	Reference	Comment
Proton affinity (review)	750.4	kJ/mol	N/A	Hunter and Lias, 1998	HL
Quantity	Value	Units	Method	Reference	Comment
Gas basicity	725.4	kJ/mol	N/A	Hunter and Lias, 1998	HL

Proton affinity at 298K

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

Gas basicity at 298K

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

Ionization energy determinations

IE (eV)	Method	Reference	Comment
9.24384 ± 0.00006	TE	Nemeth, Selzle, et al., 1993	LL
9.24372 ± 0.00005	TE	Chewter, Sander, et al., 1987	LBLHLM
9.20	EI	Stahl and Maquin, 1984	LBLHLM
9.2459 ± 0.0002	S	Grubb, Whetten, et al., 1984	LBLHLM
9.23 ± 0.03	EI	Arimura and Yoshikawa, 1984	LBLHLM
9.25	PE	Klasinc, Kovac, et al., 1983	LBLHLM
9.23	PE	Cetinkaya, Lappert, et al., 1983	LBLHLM
9.25	PE	Kimura, Katsumata, et al., 1981	LLK
9.240 ± 0.002	LS	Duncan, Dietz, et al., 1981	LLK
9.44	EI	Clare and Sowerby, 1981	LLK
9.25	PE	Bieri and Asbrink, 1980	LLK
9.22	PE	Sell, Mintz, et al., 1978	LLK
9.24	PE	Mattsson, Karlsson, et al., 1977	LLK
9.25 ± 0.02	PE	Bieri, Burger, et al., 1977	LLK
9.25 ± 0.07	EI	Selim, 1976	LLK
9.24	PE	Behan, Johnstone, et al., 1976	LLK
9.70	EI	Baldwin, Loudon, et al., 1976	LLK
9.25	CTS	Pitt, 1973	LLK
9.2 ± 0.1	EI	Tajima, Shimizu, et al., 1972	LLK
9.26 ± 0.06	EI	Finney and Harrison, 1972	LLK
9.27	PE	Chizhov, Kleimenov, et al., 1972	LLK
9.24 ± 0.01	PI	Sergeev, Akopyan, et al., 1970	RDSH
9.25 ± 0.01	PI	Demeo and El-Sayed, 1970	RDSH
9.36 ± 0.05	EI	Buchs, 1970	RDSH
9.241 ± 0.001	PE	Asbrink, Lindholm, et al., 1970	RDSH
9.241	TE	Peatman, Borne, et al., 1969	RDSH
9.24 ± 0.01	PE	Dewar and Worley, 1969	RDSH
9.25 ± 0.01	PI	Momigny, Goffart, et al., 1968	RDSH
9.20 ± 0.04	EI	Bock, Seidl, et al., 1968	RDSH
9.24	PE	Baker, May, et al., 1968	RDSH
9.25	PE	Baker, Brundle, et al., 1968	RDSH
9.25 ± 0.02	PE	Clark and Frost, 1967	RDSH
9.26 ± 0.02	EI	Nounou, 1966	RDSH
9.246 ± 0.005	PI	Brehm, 1966	RDSH
9.241 ± 0.006	PI	Nicholson, 1965	RDSH
9.24 ± 0.01	PI	Dibeler and Reese, 1964	RDSH
9.25	PE	Al-Joboury and Turner, 1964	RDSH
9.2	PI	Terenin, 1961	RDSH
9.248	S	El-Sayed, Kaaba, et al., 1961	RDSH
9.247 ± 0.002	S	Wilkinson, 1956	RDSH
9.25 ± 0.01	PI	Watanabe, 1954	RDSH
9.8 ± 0.1	EI	Hustrulid, Kusch, et al., 1938	RDSH
9.242 ± 0.005	S	Price and Wood, 1935	RDSH
9.23	PE	Howell, Goncalves, et al., 1984	Vertical value; LBLHLM
9.25	PE	Kovac, Mohraz, et al., 1980	Vertical value; LLK
9.25	PE	Kaim, Tesmann, et al., 1980	Vertical value; LLK
9.22	PE	Sell and Kupperman, 1978	Vertical value; LLK
9.23	PE	Kobayashi, 1978	Vertical value; LLK
9.3	PE	Klasinc, Novak, et al., 1978	Vertical value; LLK
9.24 ± 0.02	PE	Schmidt, 1977	Vertical value; LLK
9.25 ± 0.05	PE	Gower, Kane-Maguire, et al., 1977	Vertical value; LLK
9.24	PE	Bock, Kaim, et al., 1977	Vertical value; LLK
9.24	PE	Clar and Schmidt, 1976	Vertical value; LLK
9.23	PE	Kobayashi and Nagakura, 1975	Vertical value; LLK
9.24	PE	Bischof, Dewar, et al., 1974	Vertical value; LLK
9.24	PE	Schafer and Schweig, 1972	Vertical value; LLK
9.25 ± 0.03	PE	Klessinger, 1972	Vertical value; LLK
9.24	PE	Bock, Wagner, et al., 1972	Vertical value; LLK
9.2	PE	Carlson and Anderson, 1971	Vertical value; LLK
9.24	PE	Bock and Fuss, 1971	Vertical value; LLK
9.24	PE	Gleiter, Heilbronner, et al., 1970	Vertical value; RDSH

Appearance energy determinations

Ion	AE (eV)	Other Products	Method	Reference	Comment
CH3+	28.2 ± 0.2	?	EI	Olmsted, Street, et al., 1964	RDSH
C2H2+	19. ± 0.4	?	EI	Lifshitz and Reuben, 1969	RDSH
C2H2+	18.6	?	EI	Natalis and Franklin, 1965	RDSH
C2H2+	32.6 ± 0.2	?	EI	Olmsted, Street, et al., 1964	RDSH
C2H3+	19. ± 0.4	?	EI	Lifshitz and Reuben, 1969	RDSH
C3H3+	13.43	?	LS	Kuhlewind, Kiermeier, et al., 1986	LBLHLM
C3H3+	15.34 ± 0.06	C3H3	EI	Selim, 1976	LLK
C3H3+	16.90	C3H3	PE	Eland, Frey, et al., 1976	LLK
C3H3+	13.79	C3H3	PI	Rosenstock, Larkins, et al., 1973	LLK
C3H3+	14.7 ± 0.1	?	EI	Lifshitz and Reuben, 1969	RDSH
C4H2+	17.5 ± 0.3	?	EI	Lifshitz and Reuben, 1969	RDSH
C4H3+	18.48 ± 0.07	H+C2H2	EI	Selim, 1976	LLK
C4H3+	17.6 ± 0.1	?	EI	Lifshitz and Reuben, 1969	RDSH
C4H4+	13.40	C2H2	LS	Kuhlewind, Kiermeier, et al., 1986	T = 0K; LBLHLM
C4H4+	13.9 ± 0.1	C2H2	EI	Rosenstock, McCulloh, et al., 1977	LLK
C4H4+	14.17 ± 0.08	C2H2	PI	Rosenstock, McCulloh, et al., 1977	LLK
C4H4+	14.85	C2H2	PE	Eland, Frey, et al., 1976	LLK
C4H4+	13.85	C2H2	PI	Rosenstock, Larkins, et al., 1973	LLK
C4H4+	14.1	C2H2	EI	Hickling and Jennings, 1970	RDSH
C4H4+	14.5 ± 0.2	C2H2	EI	Lifshitz and Reuben, 1969	RDSH
C5H3+	15.7 ± 0.1	CH3	EI	Lifshitz and Reuben, 1969	RDSH
C6H+	29. ± 2.	?	EI	Lifshitz and Reuben, 1969	RDSH
C6H4+	12.93	H2	LS	Kuhlewind, Kiermeier, et al., 1986	T = 0K; LBLHLM
C6H4+	14.14 ± 0.08	H2	EI	Selim, 1976	LLK
C6H4+	12.94	H2	PI	Rosenstock, Larkins, et al., 1973	LLK
C6H4+	14.04 ± 0.06	H2	EI	Bentley, Johnstone, et al., 1973	LLK
C6H4+	14.09 ± 0.07	H2	EI	Natalis and Franklin, 1965	RDSH
C6H5+	13.12 ± 0.05	H	EVAL	Klippenstein, Faulk, et al., 1993	T = 0K; LL
C6H5+	12.90	H	LS	Kuhlewind, Kiermeier, et al., 1986	T = 0K; LBLHLM
C6H5+	13.7 ± 0.1	H	EI	Rosenstock, McCulloh, et al., 1977	LLK
C6H5+	13.78 ± 0.08	H	PI	Rosenstock, McCulloh, et al., 1977	LLK
C6H5+	14.56 ± 0.07	H	EI	Selim, 1976	LLK
C6H5+	12.94	H	PI	Rosenstock, Larkins, et al., 1973	LLK
C6H5+	13.97 ± 0.06	H	EI	Bentley, Johnstone, et al., 1973	LLK
C6H5+	14.1 ± 0.1	H	EI	Gross, 1972	LLK
C6H5+	13.80 ± 0.03	H	PI	Sergeev, Akopyan, et al., 1970	RDSH
C6H5+	14.1 ± 0.1	H	EI	Lifshitz and Reuben, 1969	RDSH
C6H5+	13.8 ± 0.1	H	PI	Brehm, 1966	RDSH
C6H71-43-24+	14.2 ± 0.2	H2	EI	Lifshitz and Reuben, 1969	RDSH

De-protonation reactions

C6H5- + =

By formula: C6H5- + H+ = C6H6

Quantity	Value	Units	Method	Reference	Comment
ΔrH°	1678.7 ± 2.1	kJ/mol	G+TS	Davico, Bierbaum, et al., 1995	gas 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°	1678.5 ± 0.88	kJ/mol	D-EA	Gunion, Gilles, et al., 1992	gas phase; B
ΔrH°	1677. ± 10.	kJ/mol	TDEq	Meot-ner and Sieck, 1986	gas phase; B
ΔrH°	1680. ± 42.	kJ/mol	CIDT	Graul and Squires, 1990	gas phase; B
ΔrH°	1665. ± 23.	kJ/mol	G+TS	Bohme and Young, 1971	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
ΔrG°	1641.8 ± 1.7	kJ/mol	IMRE	Davico, Bierbaum, et al., 1995	gas 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°	1636. ± 8.4	kJ/mol	TDEq	Meot-ner and Sieck, 1986	gas phase; B
ΔrG°	1632. ± 27.	kJ/mol	IMRB	Bartmess and McIver Jr., 1979	gas phase; B
ΔrG°	1628. ± 23.	kJ/mol	IMRB	Bohme and Young, 1971	gas phase; B

References

Go To: Top, Gas phase ion energetics data, Notes

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

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]

Nemeth, Selzle, et al., 1993 Nemeth, G.I.; Selzle, H.L.; Schlag, E.W., Magnetic ZEKE experiments with mass analysis, Chem. Phys. Lett., 1993, 215, 151. [all data]

Chewter, Sander, et al., 1987 Chewter, L.A.; Sander, M.; Muller-Dethlefs, K.; Schalg, E.W., High resolution zero kinetic energy photoelectron spectroscopy of benzene and determination of the ionization potential, J. Chem. Phys., 1987, 86, 4737. [all data]

Stahl and Maquin, 1984 Stahl, D.; Maquin, F., Charge-stripping mass spectrometry of molecular ions from polyacenes and molecular orbital theory, Chem. Phys. Lett., 1984, 108, 613. [all data]

Grubb, Whetten, et al., 1984 Grubb, S.G.; Whetten, R.L.; Albrecht, A.C.; Grant, E.R., A precise determination of the first ionization potential of benzene, Chem. Phys. Lett., 1984, 108, 420. [all data]

Arimura and Yoshikawa, 1984 Arimura, M.; Yoshikawa, Y., Ionization efficiency and ionization energy of cyclic compounds by electron impact, Mass Spectrosc. (Tokyo), 1984, 32, 375. [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]

Cetinkaya, Lappert, et al., 1983 Cetinkaya, B.; Lappert, M.F.; Suffolk, R.J., Photoelectron spectra of some sterically hindered phenols and related compounds, J. Chem. Res. Synop., 1983, 316. [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]

Duncan, Dietz, et al., 1981 Duncan, M.A.; Dietz, T.G.; Smalley, R.E., Two-color photoionization of naphthalene and benzene at threshold, J. Chem. Phys., 1981, 75, 2118. [all data]

Clare and Sowerby, 1981 Clare, P.; Sowerby, D.B., Electron impact ionisation energies of some halo-cyclotriphosphazenes, J. Inorg. Nucl. Chem., 1981, 43, 477. [all data]

Bieri and Asbrink, 1980 Bieri, G.; Asbrink, L., 30.4-nm He(II) photoelectron spectra of organic molecules, J. Electron Spectrosc. Relat. Phenom., 1980, 20, 149. [all data]

Sell, Mintz, et al., 1978 Sell, J.A.; Mintz, D.M.; Kupperman, A., Photoelectron angular distributions of carbon-carbon π electrons in ethylene, benzene, and their fluorinated derivatives, Chem. Phys. Lett., 1978, 58, 601. [all data]

Mattsson, Karlsson, et al., 1977 Mattsson, L.; Karlsson, L.; Jadrny, R.; Siegbahn, K., Valence electron spectrum of C6H6 excited by linearly polarized HeI radiation, Phys. Scr., 1977, 16, 221. [all data]

Bieri, Burger, et al., 1977 Bieri, G.; Burger, F.; Heilbronner, E.; Maier, J.P., Valence ionization enrgies of hydrocarbons, Helv. Chim. Acta, 1977, 60, 2213. [all data]

Selim, 1976 Selim, E.T.M., Electron impact study of benzene, Egypt. J. Phys., 1976, 7, 91. [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]

Baldwin, Loudon, et al., 1976 Baldwin, M.A.; Loudon, A.G.; Maccoll, A.; Webb, K.S., The nature and fragmentation pathways of the molecular ions of some arylureas, arylthioureas, acetanilides, thioacetanilides and related compounds, Org. Mass Spectrom., 1976, 11, 1181. [all data]

Pitt, 1973 Pitt, C.G., Hyperconjugation and its role in group IV chemistry, J. Organomet. Chem., 1973, 61, 49. [all data]

Tajima, Shimizu, et al., 1972 Tajima, S.; Shimizu, Y.; Tsuchiya, T., The effect of the shield voltage on appearance potential measurements using a mass spectrometer, Bull. Chem. Soc. Jpn., 1972, 45, 931. [all data]

Finney and Harrison, 1972 Finney, C.D.; Harrison, A.G., A third-derivative method for determining electron-impact onset potentials, Int. J. Mass Spectrom. Ion Phys., 1972, 9, 221. [all data]

Chizhov, Kleimenov, et al., 1972 Chizhov, Yu.V.; Kleimenov, V.I.; Medynskii, G.S.; Vilesov, F.I., Photoelectron spectra of some bromoethylenes and 2-bromopropene, Can. J. Chem., 1972, 50, 2642. [all data]

Sergeev, Akopyan, et al., 1970 Sergeev, Yu.L.; Akopyan, M.E.; Vilesov, F.I.; Kleimenov, V.I., Photoionization processes in phenyl halides, Opt. i Spektroskopiya, 1970, 29, 119, In original 63. [all data]

Demeo and El-Sayed, 1970 Demeo, D.A.; El-Sayed, M.A., Ionization potential and structure of olefins, J. Chem. Phys., 1970, 52, 2622. [all data]

Buchs, 1970 Buchs, A., Etude par spectrometrie de masse de l'ionisation de benzonitriles, de phenylacetonitriles et de N,N-dimethylanilines substitues, Helv. Chim. Acta, 1970, 53, 2026. [all data]

Asbrink, Lindholm, et al., 1970 Asbrink, L.; Lindholm, E.; Edqvist, O., Jahn-Teller effect in the vibrational structure of the photoelectron spectrum of benzene, Chem. Phys. Lett., 1970, 5, 609. [all data]

Peatman, Borne, et al., 1969 Peatman, W.B.; Borne, T.B.; Schlag, E.W., Photoionization resonance spectra. I. Nitric oxide and benzene, Chem. Phys. Lett., 1969, 3, 492. [all data]

Dewar and Worley, 1969 Dewar, M.J.S.; Worley, S.D., Photoelectron spectra of molecules. I. Ionization potentials of some organic molecules and their interpretation, J. Chem. Phys., 1969, 50, 654. [all data]

Momigny, Goffart, et al., 1968 Momigny, J.; Goffart, C.; D'Or, L., Photoionization studies by total ionization measurements. I. Benzene and its monohalogeno derivatives, Intern. J. Mass Spectrom. Ion Phys., 1968, 1, 53. [all data]

Bock, Seidl, et al., 1968 Bock, H.; Seidl, H.; Fochler, M., d-Orbitaleffekte in silicium-substituierten π-Elektronensystemen. X. Vertikale Ionisierungsenergien von Alkyl- und Silyl-benzolen, Chem. Ber., 1968, 101, 2815. [all data]

Baker, May, et al., 1968 Baker, A.D.; May, D.P.; Turner, D.W., Molecular photoelectron spectroscopy. Part VII. The vertical ionisation potentials of benzene and some of its monosubstituted and 1,4-disubstituted derivatives, J. Chem. Soc. B, 1968, 22. [all data]

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Nounou, 1966 Nounou, P., Etude des composes aromatiques par spectrometrie de masse. I. Mesure des potentials d'ionisation et d'apparition par la methode du potential retardateur et interpretation des courbes d'ionisation differentielle, J. Chim. Phys., 1966, 63, 994. [all data]

Brehm, 1966 Brehm, B., Massenspektrometrische Untersuchung der Photoionisation von Molekulen, Z. Naturforsch., 1966, 21a, 196. [all data]

Nicholson, 1965 Nicholson, A.J.C., Photoionization-efficiency curves. II. False and genuine structure, J. Chem. Phys., 1965, 43, 1171. [all data]

Dibeler and Reese, 1964 Dibeler, V.H.; Reese, R.M., Mass spectrometric study of photoionization. I. Apparatus and initial observations on acetylene, acetylene-d2, benzene, and benzene-d6, J. Res. NBS, 1964, 68A, 409. [all data]

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El-Sayed, Kaaba, et al., 1961 El-Sayed, M.F.A.; Kaaba, M.; Tanaka, Y., Ionization potentials of benzene, hexadeuterobenzene, and pyridine from their observed Rydberg series in the region 600-2000 A, J. Chem. Phys., 1961, 34, 334. [all data]

Wilkinson, 1956 Wilkinson, P.G., Absorption spectra and ionization potentials of benzene and benzene-d6, J. Chem. Phys., 1956, 24, 917. [all data]

Watanabe, 1954 Watanabe, K., Photoionization and total absorption cross section of gases. I. Ionization potentials of several molecules. Cross sections of NH3 and NO, J. Chem. Phys., 1954, 22, 1564. [all data]

Hustrulid, Kusch, et al., 1938 Hustrulid, A.; Kusch, P.; Tate, J.T., The dissociation of benzene (C6H6), pyridine (C5H5N) and cyclohexane (C6H12) by electron impact, Phys. Rev., 1938, 54, 1037. [all data]

Price and Wood, 1935 Price, W.C.; Wood, R.W., The far ultraviolet absorption spectra and ionization potentials of C6H6 and C6D6, J. Chem. Phys., 1935, 3, 439. [all data]

Howell, Goncalves, et al., 1984 Howell, J.O.; Goncalves, J.M.; Amatore, C.; Klasinc, L.; Wightman, R.M.; Kochi, J.K., Electron transfer from aromatic hydrocarbons and their π-complexes with metals. Comparison of the standard oxidation potentials and vertical ionization potentials, J. Am. Chem. Soc., 1984, 106, 3968. [all data]

Kovac, Mohraz, et al., 1980 Kovac, B.; Mohraz, M.; Heilbronner, E.; Boekelheide, V.; Hopf, H., Photoelectron spectra of the cyclophanes, J. Am. Chem. Soc., 1980, 102, 4314. [all data]

Kaim, Tesmann, et al., 1980 Kaim, W.; Tesmann, H.; Bock, H., Me3C-, Me3Si-, Me3Ge-, Me3Sn- und Me3Pb-substituierte benzol- und naphthalin-derivate und ihre radikalanionen, Chem. Ber., 1980, 113, 3221. [all data]

Sell and Kupperman, 1978 Sell, J.A.; Kupperman, A., Angular distributions in the photoelectron spectra of benzene and its monohalogenated derivatives, Chem. Phys., 1978, 33, 367. [all data]

Kobayashi, 1978 Kobayashi, T., A simple general tendency in photoelectron angular distributions of some monosubstituted benzenes, Phys. Lett., 1978, 69, 105. [all data]

Klasinc, Novak, et al., 1978 Klasinc, L.; Novak, I.; Scholz, M.; Kluge, G., Photoelektronenspektren substituierter Pyridine und Benzole und ihre Interpretation durch die CNDO/SWW-Methode, Croat. Chem. Acta, 1978, 51, 43. [all data]

Schmidt, 1977 Schmidt, W., Photoelectron spectra of polynuclear aromatics. V. Correlations with ultraviolet absorption spectra in the catacondensed series, J. Chem. Phys., 1977, 66, 828. [all data]

Gower, Kane-Maguire, et al., 1977 Gower, M.; Kane-Maguire, L.A.P.; Maier, J.P.; Sweigart, D.A., Ultraviolet photoelectron spectra of cyclohepta-1,3,5-triene and mesitylene tricarbonyl complexes of the group 6A metals, J. Chem. Soc. Dalton Trans., 1977, 316. [all data]

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Notes

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• Symbols used in this document:

  AE	Appearance energy
  IE (evaluated)	Recommended ionization energy
  ΔrG°	Free energy of reaction at standard conditions
  ΔrH°	Enthalpy of reaction at standard conditions

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