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Fluoranthene

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Gas phase ion energetics data

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

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

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

View reactions leading to C16H10+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)7.9 ± 0.1eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)828.6kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity800.9kJ/molN/AHunter and Lias, 1998HL

Electron affinity determinations

EA (eV) Method Reference Comment
0.629995ECDMichl, 1969B

Proton affinity at 298K

Proton affinity (kJ/mol) Reference Comment
826.8Aue, 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
799.6Aue, 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
7.9 ± 0.1TRPILing and Lifshitz, 1995LL
7.95 ± 0.04PEBoschi, Clar, et al., 1974LLK
7.80 ± 0.01PIDewar, Haselbach, et al., 1970RDSH
7.72CTSSlifkin and Allison, 1967RDSH

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C16H8+11.50 ± 0.122HDERLing and Lifshitz, 1995LL
C16H8+11.24 ± 0.25H2DERLing and Lifshitz, 1995LL
C16H9+12.38 ± 0.14HDERLing and Lifshitz, 1995LL

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]

Michl, 1969
Michl, J., Electronic Spectrum of Fluoranthene, J. Molec. Spectros., 1969, 30, 1-3, 66, https://doi.org/10.1016/0022-2852(69)90236-7 . [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]

Ling and Lifshitz, 1995
Ling, Y.; Lifshitz, C., Time-dependent mass spectra and breakdown graphs. 19. Fluoranthene, J. Phys. Chem., 1995, 99, 11074. [all data]

Boschi, Clar, et al., 1974
Boschi, R.; Clar, E.; Schmidt, W., Photoelectron spectra of polynuclear aromatics. III. The effect of nonplanarity in sterically overcrowded aromatic hydrocarbons, J. Chem. Phys., 1974, 60, 4406. [all data]

Dewar, Haselbach, et al., 1970
Dewar, M.J.S.; Haselbach, E.; Worley, S.D., Calculated and observed ionization potentials of unsaturated polycyclic hydrocarbons; calculated heats of formation by several semiempirical s.c.f. m.o. methods, Proc. Roy. Soc. (London), 1970, A315, 431. [all data]

Slifkin and Allison, 1967
Slifkin, M.A.; Allison, A.C., Measurement of ionization potentials from contact charge transfer spectra, Nature, 1967, 215, 949. [all data]


Notes

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