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


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 compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
LL - Sharon G. Lias and Joel F. Liebman

View reactions leading to C5H4+ (ion structure unspecified)

Ionization energy determinations

IE (eV) Method Reference Comment
9.50 ± 0.02PEMaier, 1981LLK
9.4PIPECOForster, Maier, et al., 1981LLK
9.51PEDannacher, Heilbronner, et al., 1979LLK
9.51PEBrogli, Heilbronner, et al., 1973LLK
9.5 ± 0.1PEBieri, Burger, et al., 1977Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C3H2+12.3C2H2PIDannacher, Heilbronner, et al., 1979LLK
C5H2+13.7H2EIDannacher, Heilbronner, et al., 1979LLK
C5H3+11.66 ± 0.02HPIKompe, Peel, et al., 1993LL
C5H3+11.6 ± 0.2HEIDannacher, Heilbronner, et al., 1979LLK


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.

Maier, 1981
Maier, J.P., Structure and decay of gaseous organic radical cations studied by their radiative decay, exemplified by the 1,3-pentadiyne cation, Angew. Chem. Int. Ed. Engl., 1981, 20, 638. [all data]

Forster, Maier, et al., 1981
Forster, P.; Maier, J.P.; Thommen, F., Radiative and non-radiative decay rates of alkyl substituted diacetylene cations at selected energies within their 2A states determined via photoelectron-photoion coincidence measurements, Chem. Phys., 1981, 59, 85. [all data]

Dannacher, Heilbronner, et al., 1979
Dannacher, J.; Heilbronner, E.; Stadelmann, J.-P.; Vogt, J., 225. Fragmentation of energy selected butadiyne and 1,3-pentadiyne radical cations, Helv. Chim. Acta, 1979, 62, 2186. [all data]

Brogli, Heilbronner, et al., 1973
Brogli, F.; Heilbronner, E.; Hornung, V.; Kloster-Jensen, E., 230. Die photoelektronen-spektren methyl-substituierter Acetylene, Helv. Chim. Acta, 1973, 56, 2171. [all data]

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]

Kompe, Peel, et al., 1993
Kompe, B.; Peel, J.B.; Traeger, J.C., A theoretical and experimental study of the structures and stabilities of the [C5H3]+ cation, Org. Mass Spectrom., 1993, 28, 1253. [all data]


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