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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:
L - Sharon G. Lias

Data compiled as indicated in comments:
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 C7H12+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)9.77 ± 0.03eVN/AN/AL

Ionization energy determinations

IE (eV) Method Reference Comment
9.74PEDemeo and Yencha, 1970RDSH
9.80PEBodor, Dewar, et al., 1970RDSH
9.93 ± 0.02EIWinters and Collins, 1968RDSH
10.2PEHeilbronner and Martin, 1972Vertical value; LLK
10.15PEBischof, Heilbronner, et al., 1971Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C3H3+14.03 ± 0.09?EIWinters and Collins, 1968RDSH
C3H5+13.22 ± 0.12?EIWinters and Collins, 1968RDSH
C4H5+13.44 ± 0.11?EIWinters and Collins, 1968RDSH
C4H6+11.12 ± 0.03?EIWinters and Collins, 1968RDSH
C4H7+10.60 ± 0.10?EIWinters and Collins, 1968RDSH
C5H7+10.60 ± 0.10C2H5EIWinters and Collins, 1968RDSH
C5H8+10.30 ± 0.07C2H4EIWinters and Collins, 1968RDSH
C6H9+10.17 ± 0.06CH3EIWinters and Collins, 1968RDSH


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.

Demeo and Yencha, 1970
Demeo, D.A.; Yencha, A.J., Photoelectron spectra of bicyclic and exocyclic olefins, J. Chem. Phys., 1970, 53, 4536. [all data]

Bodor, Dewar, et al., 1970
Bodor, N.; Dewar, M.J.S.; Worley, S.D., Photoelectron spectra of molecules. III. Ionization potentials of some cyclic hydrocarbons and their derivatives, and heats of formation and ionization potentials calculated by the MINDO SCF MO method, J. Am. Chem. Soc., 1970, 92, 19. [all data]

Winters and Collins, 1968
Winters, R.E.; Collins, J.H., Mass spectrometric studies of structural isomers. I. Mono- and bicyclic C7H12 molecules, J. Am. Chem. Soc., 1968, 90, 1235. [all data]

Heilbronner and Martin, 1972
Heilbronner, E.; Martin, H.D., The «pi»-orbital sequence in norbornadiene and related hydrocarbons, Helv. Chim. Acta, 1972, 55, 1490. [all data]

Bischof, Heilbronner, et al., 1971
Bischof, P.; Heilbronner, E.; Prinzbach, H.; Martin, H.D., A photoelectron-spectroscopic investigation of the homoconjugative interaction between «pi»- and Walsh-orbitals in endo- and exo- cyclopropano-norbornene, Helv. Chim. Acta, 1971, 54, 1072. [all data]


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