1-Butene, 3,3-dimethyl-

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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 compiled as indicated in comments:
B - John E. Bartmess
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 C6H12+ (ion structure unspecified)

Ionization energy determinations

IE (eV) Method Reference Comment
9.45 ± 0.02PEBieri, Burger, et al., 1977LLK
9.44EILossing and Traeger, 1975LLK
9.450 ± 0.005PEMasclet, Grosjean, et al., 1973LLK
9.62 ± 0.04EIBock and Seidl, 1968RDSH
9.7PEWeidner and Schweig, 1972Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CH3+15.4C5H9EISenSharma and Franklin, 1973LLK
C5H9+9.44CH3EILossing and Traeger, 1975, 2LLK
C5H9+10.14CH3EILossing and Traeger, 1975LLK

De-protonation reactions

C6H11- + Hydrogen cation = 1-Butene, 3,3-dimethyl-

By formula: C6H11- + H+ = C6H12

Quantity Value Units Method Reference Comment
Δr409.0 ± 4.0kcal/molCIDTGraul and Squires, 1990gas phase; B
Quantity Value Units Method Reference Comment
Δr399.9 ± 4.1kcal/molH-TSGraul and Squires, 1990gas phase; B


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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]

Lossing and Traeger, 1975
Lossing, F.P.; Traeger, J.C., Stabilization in cyclopentadienyl, cyclopentenyl, and cyclopentyl cations, J. Am. Chem. Soc., 1975, 97, 1579. [all data]

Masclet, Grosjean, et al., 1973
Masclet, P.; Grosjean, D.; Mouvier, G., Alkene ionization potentials. Part I. Quantitative determination of alkyl group structural effects, J. Electron Spectrosc. Relat. Phenom., 1973, 2, 225. [all data]

Bock and Seidl, 1968
Bock, H.; Seidl, H., d-Orbitaleffekte in siliziumsubstituierten π-Elektronensystemen. VI. Spektroskopische Untersuchungen an Alkyl- und Silylathylenen, J. Organometal. Chem., 1968, 13, 87. [all data]

Weidner and Schweig, 1972
Weidner, U.; Schweig, A., Theory and application of photoelectron spectroscopy. V. The nature of bonding in vinyl- and allylsilanes: the effects of σ-π (hyperconjugation) pπ-dπ conjugation in these compounds, J. Organomet. Chem., 1972, 39, 261. [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]

Lossing and Traeger, 1975, 2
Lossing, F.P.; Traeger, J.C., Free radicals by mass spectrometry XLVI. Heats of formation of C5H7 and C5H9 radicals and cations., J. Am. Chem. Soc., 1975, 19, 9. [all data]

Graul and Squires, 1990
Graul, S.T.; Squires, R.R., Gas-Phase Acidities Derived from Threshold Energies for Activated Reactions, J. Am. Chem. Soc., 1990, 112, 7, 2517, https://doi.org/10.1021/ja00163a007 . [all data]


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