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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard

View reactions leading to C4H6+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)10.18 ± 0.01eVN/AN/AL

Ionization energy determinations

IE (eV) Method Reference Comment
10.20 ± 0.02PEBieri, Burger, et al., 1977LLK
10.178 ± 0.005PECarlier, Dubois, et al., 1975LLK
10.18EILossing, 1972LLK
10.18SNakayama and Watanabe, 1964RDSH
10.18 ± 0.01PIWatanabe and Namioka, 1956RDSH

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CH3+15.1C3H3EISenSharma and Franklin, 1973LLK
C2H5+12.9 ± 0.1C2HEICoats and Anderson, 1957RDSH
C3H+12.59?EIField, Franklin, et al., 1957RDSH
C3H3+11.7CH3EISenSharma and Franklin, 1973LLK
C3H3+10.84CH3EILossing, 1972LLK
C4H+13.202H2+HEIField, Franklin, et al., 1957RDSH
C4H3+14.6 ± 0.2H2+HEICoats and Anderson, 1957RDSH
C4H4+10.9 ± 0.2H2EICoats and Anderson, 1957RDSH
C4H5+10.85HEILossing and Holmes, 1984LBLHLM
C4H5+11.6 ± 0.1HEICoats and Anderson, 1957RDSH


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.

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]

Carlier, Dubois, et al., 1975
Carlier, P.; Dubois, J.E.; Masclet, P.; Mouvier, G., Spectres de photoelectrons des alcynes, J. Electron Spectrosc. Relat. Phenom., 1975, 7, 55. [all data]

Lossing, 1972
Lossing, F.P., Free radicals by mass spectrometry. XLV. Ionization potentials and heats of formation of C3H3, C3H5, and C4H7 radicals and ions, Can. J. Chem., 1972, 50, 3973. [all data]

Nakayama and Watanabe, 1964
Nakayama, T.; Watanabe, K., Absorption and photoionization coefficients of acetylene, propyne, and 1-butyne, J. Chem. Phys., 1964, 40, 558. [all data]

Watanabe and Namioka, 1956
Watanabe, K.; Namioka, T., Ionization potential of propyne, J. Chem. Phys., 1956, 24, 915. [all data]

SenSharma and Franklin, 1973
SenSharma, D.K.; Franklin, J.L., Heat of formation of free radicals by mass spectrometry, J. Am. Chem. Soc., 1973, 95, 6562. [all data]

Coats and Anderson, 1957
Coats, F.H.; Anderson, R.C., Thermodynamic data from electron-impact measurements on acetylene and substituted acetylenes, J. Am. Chem. Soc., 1957, 79, 1340. [all data]

Field, Franklin, et al., 1957
Field, F.H.; Franklin, J.L.; Lampe, F.W., Reactions of gaseous ions. II. Acetylene, J. Am. Chem. Soc., 1957, 79, 2665. [all data]

Lossing and Holmes, 1984
Lossing, F.P.; Holmes, J.L., Stabilization energy and ion size in carbocations in the gas phase, J. Am. Chem. Soc., 1984, 106, 6917. [all data]


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