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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

Data compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
B - John E. Bartmess

Quantity Value Units Method Reference Comment
Gas basicity827.5kJ/molN/AHunter and Lias, 1998HL

Electron affinity determinations

EA (eV) Method Reference Comment
2.68350 ± 0.00060LPESHuang, Dau, et al., 2014B
2.6830 ± 0.0080LPESWang, Woo, et al., 2005B
2.6890 ± 0.0080LPESWang, Ding, et al., 1999B
2.6660 ± 0.0010LPDBrink, Andersen, et al., 1995Cooled in ring - extrapolated to cold ions; B
2.650 ± 0.050LPDWang, Conceicao, et al., 1991There exists a 0.15±0.05 eV barrier to attachment of electrons: Huang, Carman, et al., 1995, Jaffke, Illenberger, et al., 1994; B
2.4680 ± 0.0089LPESPalpant, Otake, et al., 1999Vertical Detachment Energy: 2.72 eV. See Palpant, Negishi, et al., 2001 for 5.81 eV LPES; B
1.62 ± 0.19CIDCChen, Ma, et al., 1997Represents a "local" EA of a portion of the surface with EA comparable to cluster partner.; B
<2.70 ± 0.20LPESYang, Pettiette, et al., 1987EA appreciably less, HOMO-LUMO gap larger than homologs, indicating closed shell neutral.; B

Ionization energy determinations

IE (eV) Method Reference Comment
7.6EIMuigg, Scheier, et al., 1996LL
7.8EISaiBaba, LakshmiNarasimhan, et al., 1995LL
7.6 ± 0.5EIScheier, Dunser, et al., 1994LL
7.61DTIBeck, Weis, et al., 1994LL
8.1 ± 0.5EISaiBaba, LakshmiNarasimhan, et al., 1993LL
7.57 ± 0.01PIYoo, Ruscic, et al., 1992LL
8.1 ± 0.5EISaiBaba, LakshmiNarasimhan, et al., 1992LL
7.54 ± 0.04PIHertel, Steger, et al., 1992LL
7.58 ± 0.03PIDeVries, Steger, et al., 1992LL
7.61 ± 0.11IMBZimmerman and Eyler, 1991LL
7.6 ± 0.1IMBMcElvany and Bach, 1991LL
7.61 ± 0.02PELichtenberger, Jatko, et al., 1991LL
7.6 ± 0.2PELichtenberger, Nebesny, et al., 1991Vertical value; LL

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C3+78.9 ± 3.9?EIMuigg, Scheier, et al., 1996LL
C4+78.6 ± 4.9?EIMuigg, Scheier, et al., 1996LL
C5+85. ± 5.?EIMuigg, Scheier, et al., 1996LL
C6+83.7 ± 3.7?EIMuigg, Scheier, et al., 1996LL
C7+84.9 ± 4.2?EIMuigg, Scheier, et al., 1996LL
C8+83.9 ± 4.2?EIMuigg, Scheier, et al., 1996LL
C9+86.2 ± 5.8?EIMuigg, Scheier, et al., 1996LL
C10+91.1 ± 5.3?EIMuigg, Scheier, et al., 1996LL
C44+85.18C2EIWorgotter, Dunser, et al., 1996LL
C44+85.18C2EIScheier, Dunser, et al., 1994LL
C46+78.77C2EIWorgotter, Dunser, et al., 1996LL
C46+78.77C2EIScheier, Dunser, et al., 1994LL
C48+73.46C2EIWorgotter, Dunser, et al., 1996LL
C48+74.36C2EIScheier, Dunser, et al., 1994LL
C50+65.05C2EIWorgotter, Dunser, et al., 1996LL
C50+29.7?EISaiBaba, LakshmiNarasimhan, et al., 1995LL
C50+65.5C2EIScheier, Dunser, et al., 1994LL
C52+59.94C2EIWorgotter, Dunser, et al., 1996LL
C52+26.3?EISaiBaba, LakshmiNarasimhan, et al., 1995LL
C52+59.94C2EIScheier, Dunser, et al., 1994LL
C54+54.33C2EIWorgotter, Dunser, et al., 1996LL
C54+24.2?EISaiBaba, LakshmiNarasimhan, et al., 1995LL
C54+54.33C2EIScheier, Dunser, et al., 1994LL
C54+~55.3C2EIFoltin, Lezius, et al., 1993LL
C56+48.82C2EIWorgotter, Dunser, et al., 1996LL
C56+22.5?EISaiBaba, LakshmiNarasimhan, et al., 1995LL
C56+48.82C2EIScheier, Dunser, et al., 1994LL
C56+~50.2C2EIFoltin, Lezius, et al., 1993LL
C58+43.7C2EIWorgotter, Dunser, et al., 1996LL
C58+20.2C2EISaiBaba, LakshmiNarasimhan, et al., 1995LL
C58+43.7C2EIScheier, Dunser, et al., 1994LL
C58+~44.C2EIFoltin, Lezius, et al., 1993LL
C58+>40.8C2PIYoo, Ruscic, et al., 1992LL


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]

Huang, Dau, et al., 2014
Huang, D.L.; Dau, P.D.; Liu, H.T.; Wang, L.S., High-resolution photoelectron imaging of cold C-60(-) anions and accurate determination of the electron affinity of C-60, J. Chem. Phys., 2014, 140, 22, 224315, https://doi.org/10.1063/1.4881421 . [all data]

Wang, Woo, et al., 2005
Wang, X.B.; Woo, H.K.; Wang, L.S., Vibrational cooling in a cold ion trap: Vibrationally resolved photoelectron spectroscopy of cold C-60(-) anions, J. Chem. Phys., 2005, 123, 5, 051106, https://doi.org/10.1063/1.1998787 . [all data]

Wang, Ding, et al., 1999
Wang, X.B.; Ding, C.F.; Wang, L.S., High resolution photoelectron spectroscopy of C-60(-), J. Chem. Phys., 1999, 110, 17, 8217-8220, https://doi.org/10.1063/1.478732 . [all data]

Brink, Andersen, et al., 1995
Brink, C.; Andersen, L.H.; Hvelplund, P.; Mathur, D.; Voldstad, J.D., Laser photodetachment of C-60(-) and C-70(-) ions cooled in a storage ring, Chem. Phys. Lett., 1995, 233, 1-2, 52, https://doi.org/10.1016/0009-2614(94)01413-P . [all data]

Wang, Conceicao, et al., 1991
Wang, L.-S.; Conceicao, J.; Jin, C.; Smalley, R.E., Threshold Photodetachment of Cold C60-, Chem. Phys. Lett., 1991, 182, 1, 5, https://doi.org/10.1016/0009-2614(91)80094-E . [all data]

Huang, Carman, et al., 1995
Huang, J.; Carman, H.S.; Compton, R.N., Low-energy electron attachment to C-60, J. Phys. Chem., 1995, 99, 6, 1719, https://doi.org/10.1021/j100006a013 . [all data]

Jaffke, Illenberger, et al., 1994
Jaffke, T.; Illenberger, E.; Lezius, M.; Matejcik, S.; Smith, D.; Mark, T.D., Formation of C60(-) and C70(-) by Free Electron Capture - Activation Energy and Effect of the Internal Energy on Lifetime, Chem. Phys. Lett., 1994, 226, 1-2, 213, https://doi.org/10.1016/0009-2614(94)00704-7 . [all data]

Palpant, Otake, et al., 1999
Palpant, B.; Otake, A.; Hayakawa, F.; Negishi, Y.; Lee, G.H.; Nakajima, A.; Kaya, K., Photoelectron spectroscopy of sodium-coated C-60 and C-70 cluster anions, Phys. Rev. B: Cond. Matt., 1999, 60, 7, 4509-4512, https://doi.org/10.1103/PhysRevB.60.4509 . [all data]

Palpant, Negishi, et al., 2001
Palpant, B.; Negishi, Y.; Sanekata, M.; Miyajima, K.; Nagao, S.; Judai, K.; Rayner, D.M.; Simard, B.; Hackett, P.A.; Nakajima, A.; Kaya, K., Electronic and geometric properties of exohedral sodium- and gold-fullerenes, J. Chem. Phys., 2001, 114, 19, 8459-8466, https://doi.org/10.1063/1.1366641 . [all data]

Chen, Ma, et al., 1997
Chen, G.; Ma, S.; Cooks, R.G.; Bronstein, H.E.; Best, M.D.; Scott, L.T., Electron Affinities and C60 Anion Clusters of Certain Bowl-shaped Polycyclic Aromatic Hydrocarbons, J. Mass Spectrom., 1997, 32, 12, 1305, https://doi.org/10.1002/(SICI)1096-9888(199712)32:12<1305::AID-JMS590>3.0.CO;2-W . [all data]

Yang, Pettiette, et al., 1987
Yang, S.H.; Pettiette, C.L.; Conceicao, J.; Cheshnovsky, O.; Smalley, R.E., UPS of Buckminsterfullerene and other Large Clusters of Carbon, Chem. Phys. Lett., 1987, 139, 3-4, 233, https://doi.org/10.1016/0009-2614(87)80548-1 . [all data]

Muigg, Scheier, et al., 1996
Muigg, D.; Scheier, P.; Becker, K.; Mark, T.D., Measured appearance energies of Cn+ (3 ≤ n ≤ 10) fragment ions produced by electron impact on C60, J. Phys. B:, 1996, 29, 5193. [all data]

SaiBaba, LakshmiNarasimhan, et al., 1995
SaiBaba, M.; LakshmiNarasimhan, T.S.; Balasubramanian, R.; Mathews, C.K., Ionization and fragmentation of C60: An electron impact ionization study, J. Phys. Chem., 1995, 99, 3020. [all data]

Scheier, Dunser, et al., 1994
Scheier, P.; Dunser, B.; Worgotter, R.; Lezius, M.; Robl, R.; Mark, T.D., Appearance and ionization energies of singly, doubly and triply charged C60 and its fragment ions produced by electron impact ionization, Int. J. Mass Spectrom. Ion Processes, 1994, 138, 77. [all data]

Beck, Weis, et al., 1994
Beck, R.D.; Weis, P.; Brauchle, G.; Kappes, M.M., Mechanistic aspects of fullerene coalescence upon ultraviolet laser desorption from thin films, J. Chem. Phys., 1994, 100, 262. [all data]

SaiBaba, LakshmiNarasimhan, et al., 1993
SaiBaba, M.; LakshmiNarasimhan, T.S.; Balasubramanian, R.; Mathews, C.K., Electron impact ionisation of fullerenes: appearance energies of C60+, C260+ and C360+, Int. J. Mass Spectrom. Ion Processes, 1993, 125, R1. [all data]

Yoo, Ruscic, et al., 1992
Yoo, R.K.; Ruscic, B.; Berkowitz, J., Vacuum ultraviolet photoionization mass spectrometric study of C60, J. Chem. Phys., 1992, 96, 911. [all data]

SaiBaba, LakshmiNarasimhan, et al., 1992
SaiBaba, M.; LakshmiNarasimhan, T.S.; Balasubramanian, R.; Mathews, C.K., Appearance potential and electron impact ionisation cross-section of C60, Int. J. Mass Spectrom. Ion Processes, 1992, 114, R1. [all data]

Hertel, Steger, et al., 1992
Hertel, I.V.; Steger, H.; DeVries, J.; Weisser, B.; Menzel, C.; Kamke, B.; Kamke, W., Giant plasmon excitation in free C60 and C70 molecules studied by photoionization, Phys. Rev. Lett., 1992, 68, 784. [all data]

DeVries, Steger, et al., 1992
DeVries, J.; Steger, H.; Kamke, B.; Menzel, C.; Weisser, B.; Kamke, W.; Hertel, I.V., Single-photon ionization of C60- and C70-fullerene with synchrotron radiation; Determination of the ionization potential of C60, Chem. Phys. Lett., 1992, 188, 159. [all data]

Zimmerman and Eyler, 1991
Zimmerman, J.A.; Eyler, J.R., 'Magic number' carbon clusters: Ionization potentials and selective reactivity, J. Chem. Phys., 1991, 94, 3556. [all data]

McElvany and Bach, 1991
McElvany, S.W.; Bach, S.B.H., First and second ionization potentials and reactions of C60 and related clusters, Proceedings of the 39th ASMS Conference on Mass Spectrometry and Allied Topics, 1991, 39, 422. [all data]

Lichtenberger, Jatko, et al., 1991
Lichtenberger, D.L.; Jatko, M.E.; Nebesny, K.W.; Ray, C.D.; Huffman, D.R.; Lamb, L.D., The ionization of the carbon sixty-atom molecule in the gas phase and in thin solid films, Mater. Res. Soc. Symp. Proc., 1991, 206, 673. [all data]

Lichtenberger, Nebesny, et al., 1991
Lichtenberger, D.L.; Nebesny, K.W.; Ray, C.D.; Huffman, D.R.; Lamb, L.D., Valence and core photoelectron spectroscopy of C60, buckminsterfullerene, J. Am. Chem. Soc., 1991, 176, 203. [all data]

Worgotter, Dunser, et al., 1996
Worgotter, R.; Dunser, B.; Scheier, P.; Mark, T.D.; Foltin, M.; Klots, C.E.; Laskin, J.; Lifshitz, C., Self-consistent determination of fullerene binding energies BE(Cn+ - C2), n = 58,...,44, J. Chem. Phys., 1996, 104, 1225. [all data]

Foltin, Lezius, et al., 1993
Foltin, M.; Lezius, M.; Scheier, P.; Mark, T.D., On the unimolecular fragmentation of C60+ fullerene ions: The comparison of measured and calculated breakdown patterns, J. Chem. Phys., 1993, 98, 9624. [all data]


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