Towards a methodology for breaking carbon-carbon bonds in coal macromolecules. Topical report, January-July 1985

Technical Report · Mon Jul 01 04:00:00 EDT 1985

OSTI ID:6365433

Arnett, E M; Chawla, B; Amarnath, K

The report describes results on heats of heterolysis ..delta..H/sub het/ from the experimental enthalpies of reaction (..delta..H/sub rxn/ of a resonance-stabilized carbocation phi/sub 3/C with a series of fluorenyl carbanions in an inert solvent, benzonitrile, at 25 C (..delta..H/sub het/ = -..delta..H/sub rxn/). Since solvation has a negligible effect on the relative heats or free energies of formation of such delocalized ions from their neutral precursors, it is reasonable to propose that ..delta..H/sub rxn/ or ..delta..H/sub het/ is related directly to the stabilities of the two kinds of ions as reflected in their pK/sub R+/'s or pK/sub a/'s. Such a formal expression, ..delta..H/sub het/ = A pK/sub R+/ + B pK/sub a/ + C is tested for three series of ions covering a range of almost 45 kcal/mole. Calculated values agree with experimental ones with an average difference of 0.64 kcal/mole.

• Research Organization: Duke Univ., Durham, NC (USA). Dept. of Chemistry
• OSTI ID: 6365433
• Report Number(s): PB-86-132800/XAB
• Country of Publication: United States
• Language: English

Related Subjects

01 COAL, LIGNITE, AND PEAT
010600* -- Coal
Lignite
& Peat-- Properties & Composition
CALORIMETRY
CARBON
CARBONACEOUS MATERIALS
CHARGED PARTICLES
CHEMICAL BONDS
COAL
ELEMENTS
ENERGY SOURCES
ENTHALPY
FOSSIL FUELS
FUELS
IONS
KINETICS
MATERIALS
MOLECULAR STRUCTURE
NONMETALS
NUMERICAL SOLUTION
PHYSICAL PROPERTIES
REACTION KINETICS
SOLVENTS
STABILITY
THERMODYNAMIC PROPERTIES