Tert-butyl ion heat of formation and the isobutene proton affinity
- Univ. of North Carolina, Chapel Hill, NC (United States)
A new value of the tert-butyl ion heat of formation has been measured by dissociative ionization of tert-butyl iodide using the photoelectron photoion coincidence technique. The derived [Delta]H[sub f][degrees][sub 0](t-C[sub 4]H)[sup +] of 734 kJ/mol and [Delta]H[sub f][degrees][sub 298](t-C[sub 4]H[sub 9][sup +]) of 711 kJ/mol is 20 kJ/Mol higher than previous experimental measurements, but agrees within 1 kJ/mol with a recent theoretical ab initio calculation. The derived proton affinity for isobutene is thus 802 kJ/mol at 298 K. With these values established, we predict a tert-butyl radical ionization potential of 6.85 eV, which is close to Houle and Beauchamp's vertical IP from PES (6.92 eV) and Lossing's reported onset of 6.92 eV. However, it is considerably higher than the reported adiabatic IP of 6.7 eV. 24 refs., 1 fig., 1 tab.
- OSTI ID:
- 5065455
- Journal Information:
- Journal of the American Chemical Society; (United States), Vol. 115:26; ISSN 0002-7863
- Country of Publication:
- United States
- Language:
- English
Similar Records
Equilibrium constants for methyl tert-butyl ether and ethyl tert-butyl ether liquid-phase syntheses using C[sub 4] olefinic cut
Thermodynamic and kinetic studies of the liquid phase synthesis of tert-butyl ethyl ether using a reaction calorimeter
Related Subjects
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
71 CLASSICAL AND QUANTUM MECHANICS
GENERAL PHYSICS
BUTENES
AFFINITY
BUTYL RADICALS
IONIZATION
IODIDES
DISSOCIATION
IONS
FORMATION HEAT
PROTONS
ALKENES
ALKYL RADICALS
BARYONS
CHARGED PARTICLES
ELEMENTARY PARTICLES
ENTHALPY
FERMIONS
HADRONS
HALIDES
HALOGEN COMPOUNDS
HYDROCARBONS
IODINE COMPOUNDS
NUCLEONS
ORGANIC COMPOUNDS
PHYSICAL PROPERTIES
RADICALS
REACTION HEAT
THERMODYNAMIC PROPERTIES
400201* - Chemical & Physicochemical Properties
661300 - Other Aspects of Physical Science- (1992-)