The single electron transfer chemistry of coals. Final report
This research addressed electron donar properties and radical reactions in coal. Solid residues from pyridine Soxhlet extractions of Pocahontas No. 3, Upper Freeport, Pittsburgh No. 8, Illinois No. 6 and Wyodak coals were exposed to 4-vinylpyridine vapors and swelled. All of the 4-vinylpyridine could not be removed under vacuum at 100{degree}C. Diffuse reflectance FTIR revealed the presence of poly-(4-vinylpyridine) in the Illinois No. 6 and Wyodak coals. EPR spectra displayed the loss of inertinite radicals in Upper Freeport, Illinois No. 6 and Wyodak residues after exposure to 4-vinylpyridine. There was little change in the vitrinite radical density or environment. The molecule N,N{prime}-Diphenyl-p-phenylene diamine (DPPD) was exposed to the solid residues from pyridine Soxhlet extractions of the above coals. Diffuse reflectance FTIR failed to detect the imine product from radical reaction with DPPD. EPR spectra displayed the loss of inertinite radicals in Upper Freeport and Wyodak residues. 7,7,8,8-Tetracyanoquinodimethane (TCNQ) and Tetracyanoethylene (TCNE) were deposited into coals in pyridine. FTIR indicated complete conversion of TCNQ to a material with a singly occupied LUMO. In TCNE the LUMO is about 30% occupied. TCNQ and TCNE were deposited into the pyridine extracts and residues of Illinois No. 6 and Pittsburgh No. 8 coals. Only a small amount of the TCNQ and TCNE displayed nitrile shifts in the IR spectrum of a material with an occupied LUMO. It has been concluded that TCNQ must be part of the aromatic stacks in coal and the TCNQ LUMO is part of an extended band.
- Research Organization:
- Lehigh Univ., Bethlehem, PA (United States). Dept. of Chemistry
- Sponsoring Organization:
- USDOE, Washington, DC (United States)
- DOE Contract Number:
- FG22-89PC89785
- OSTI ID:
- 53503
- Report Number(s):
- DOE/PC/89785-T4; ON: DE95005936
- Resource Relation:
- Other Information: PBD: [1994]
- Country of Publication:
- United States
- Language:
- English
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