(Free radical and rearrangement reactions in coal liquefactions)
Studies on rearrangement reactions in coal liquefaction have continued. The pyrolysis of 5-methylenespiro (3,5) nonane results in a retro 2+2 cleavage and a 1,3-shift to {triangle}{sup 1,2}- octalin in a 1:2 ratio, respectively. This is in contrast to a 2:1 ratio usually observed for conformationally unbiased vinylcyclobutanes. 5-Methylenespiro (3,5) nona-1-ene was prepared, and its thermal rearrangement to {triangle}{sup 1-2,3}-hexalin was examined. Also formed is a triene resulting from cyclobutene ring opening. Work continues on developing a force-field appropriate to organometallic systems. The model is extremely simple. It assumes that all metal ligand bond distances are a function of a ligand and the covalent radius of the metal. The model ignores bond angle and torsion potentials at the metal so that steric size and electrostatics determine geometry.
- Research Organization:
- Indiana Univ., Bloomington, IN (USA). Dept. of Chemistry
- Sponsoring Organization:
- DOE; USDOE, Washington, DC (USA)
- DOE Contract Number:
- FG02-86ER13616
- OSTI ID:
- 6170731
- Report Number(s):
- DOE/ER/13616-5; ON: DE91009672
- Country of Publication:
- United States
- Language:
- English
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37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400201* -- Chemical & Physicochemical Properties
ACTIVATION ENERGY
ALKENES
AROMATICS
CHEMICAL REACTION KINETICS
CHEMICAL REACTIONS
COAL LIQUEFACTION
CYCLOALKENES
DECOMPOSITION
DOCUMENT TYPES
ENERGY
HYDROCARBONS
KINETICS
LIGANDS
LIQUEFACTION
MATHEMATICAL MODELS
MOLECULAR MODELS
ORGANIC COMPOUNDS
ORGANOMETALLIC COMPOUNDS
PROGRESS REPORT
PYROLYSIS
REACTION KINETICS
TETRALIN
THERMOCHEMICAL PROCESSES