Home Symbol which looks like a small house Up Solid circle with an upward pointer in it

Benzene, iodo-

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.

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:
L - Sharon G. Lias

Data compiled as indicated in comments:
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

Quantity Value Units Method Reference Comment
IE (evaluated)8.72 ± 0.04eVN/AN/AL

Ionization energy determinations

IE (eV) Method Reference Comment
8.79PEFujisawa, Ohno, et al., 1986LBLHLM
8.75PEKlasinc, Kovac, et al., 1983LBLHLM
8.685PIPECODannacher, Rosenstock, et al., 1983LBLHLM
8.79PEKimura, Katsumata, et al., 1981LLK
8.70PEBehan, Johnstone, et al., 1976LLK
9.05EIBaldwin, Loudon, et al., 1976LLK
8.77 ± 0.02PIPECOBaer, Tsai, et al., 1976LLK
8.67PEBoschi and Salahub, 1974LLK
8.73 ± 0.01PISergeev, Akopyan, et al., 1970RDSH
8.685PIMomigny, Goffart, et al., 1968RDSH
8.73 ± 0.03PIWatanabe, 1957RDSH
8.801PEPotts, Lyus, et al., 1980Vertical value; LLK
8.67PESell and Kupperman, 1978Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C6H5+11.07 ± 0.07IPIMalinovich and Lifshitz, 1986LBLHLM
C6H5+10.6 ± 0.1ITRPILifshitz and Malinovich, 1984LBLHLM
C6H5+10.55 ± 0.01IEIGefen and Lifshitz, 1984LBLHLM
C6H5+11.2 ± 0.9IPIDunbar and Honovich, 1984LBLHLM
C6H5+11.32 ± 0.05IEIBurgers and Holmes, 1984LBLHLM
C6H5+11.4 ± 0.1IEIBurgers and Holmes, 1984LBLHLM
C6H5+11.015IPIPECODannacher, Rosenstock, et al., 1983LBLHLM
C6H5+11.4 ± 0.1IEIBurgers and Holmes, 1982LBLHLM
C6H5+11.27IPIPECOBaer, Tsai, et al., 1976LLK
C6H5+11.34IEIJohnstone and Mellon, 1972LLK
C6H5+11.06 ± 0.04IPISergeev, Akopyan, et al., 1970RDSH
C6H5+11.46IEIHowe and Williams, 1969RDSH


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.

Fujisawa, Ohno, et al., 1986
Fujisawa, S.; Ohno, K.; Masuda, S.; Harada, Y., Penning ionization electron spectroscopy of monohalogenobenzenes: C6H5F, C6H5Cl, C6H5Br, and C6H5I, J. Am. Chem. Soc., 1986, 108, 6505. [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]

Dannacher, Rosenstock, et al., 1983
Dannacher, J.; Rosenstock, H.M.; Buff, R.; Parr, A.C.; Stockbauer, R.L.; Bombach, R.; Stadelmann, J.-P., Benchmark measurement of iodobenzene ion fragmentation rates, Chem. Phys., 1983, 75, 23. [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]

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]

Baer, Tsai, et al., 1976
Baer, T.; Tsai, B.P.; Smith, D.; Murray, P.T., Absolute unimolecular decay rates of energy selected metastable halobenzene ions, J. Chem. Phys., 1976, 64, 2460. [all data]

Boschi and Salahub, 1974
Boschi, R.A.A.; Salahub, D.R., The high resolution photoelectron spectra of some iodoalkanes, iodocycloalkanes, iodoalkenes, and fluoroiodohydrocarbons, Can. J. Chem., 1974, 52, 1217. [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]

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]

Watanabe, 1957
Watanabe, K., Ionization potentials of some molecules, J. Chem. Phys., 1957, 26, 542. [all data]

Potts, Lyus, et al., 1980
Potts, A.W.; Lyus, M.L.; Lee, E.P.F.; Fattahallah, G.H., High resolution ultraviolet photoelectron spectra of C6H5X and p-C6H4X2 where X = Cl, Br or I, J. Chem. Soc. Faraday Trans. 2, 1980, 76, 556. [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]

Malinovich and Lifshitz, 1986
Malinovich, Y.; Lifshitz, C., Time-dependent mass spectra and breakdown graphs. 7. Time-resolved photoionization mass spectrometry of iodobenzene. The heat of formation of C6H5+, J. Phys. Chem., 1986, 90, 2200. [all data]

Lifshitz and Malinovich, 1984
Lifshitz, C.; Malinovich, Y., Time resolved photoionization mass spectrometry in the millisecond range, Int. J. Mass Spectrom. Ion Processes, 1984, 60, 99. [all data]

Gefen and Lifshitz, 1984
Gefen, S.; Lifshitz, C., Time-dependent mass spectra and breakdown graphs. V. The kinetic shift in iodobenzene, Int. J. Mass Spectrom. Ion Processes, 1984, 58, 251. [all data]

Dunbar and Honovich, 1984
Dunbar, R.C.; Honovich, J.P., Threshold ion photodissociation. Bromobenzene and iodobenzene ions, Int. J. Mass Spectrom. Ion Processes, 1984, 58, 25. [all data]

Burgers and Holmes, 1984
Burgers, P.C.; Holmes, J.L., Fragmentation rate constants and appearance energies for reactions having a large kinetic shift and the energy partitioning in their metastable decomposition, Int. J. Mass Spectrom. Ion Processes, 1984, 58, 15. [all data]

Burgers and Holmes, 1982
Burgers, P.C.; Holmes, J.L., Metastable ion studies. XIII. The measurement of appearance energies of metastable peaks, Org. Mass Spectrom., 1982, 17, 123. [all data]

Johnstone and Mellon, 1972
Johnstone, R.A.W.; Mellon, F.A., Electron-impact ionization and appearance potentials, J. Chem. Soc. Faraday Trans. 2, 1972, 68, 1209. [all data]

Howe and Williams, 1969
Howe, I.; Williams, D.H., Calculation and qualitative predictions of mass spectra. Mono- and paradisubstituted benzenes, J. Am. Chem. Soc., 1969, 91, 7137. [all data]


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