Spin-mapping of coal structures with ESE and ENDOR
The goals of this program include developing a system for the analysis of the chemical forms of organic sulfur in coal by very high field EPR spectroscopy, ENDOR, and ESE spectroscopy and applying it to coals and to the effects of treatment upon their sulfur-containing organic components. The approach is to utilize the naturally-occurring unpaired electrons in the organic structures of coals as spies to provide molecular structure information, reading out the information with Electron Paramagnetic Resonance (EPR) spectroscopy. A special aspect of this project is that a new very-high-field (VHF) EPR instrument in our laboratory is able to resolve features caused specifically by the sulfur atoms in heterocyclic structures. First, representative sulfur- and oxygen-containing heterocyclic compounds are prepared, made into forms containing unpaired electrons to mimic the regions being observed in the coals, and their VHF-EPR spectra recorded, analyzed, and catalogued. Next, both high- and low-sulfur coals and coal macerals are examined by VHF-EPR spectroscopy, and the spectra compared with synthetic spectra derived from mixtures of the model compounds. The aim here is to be able to do computer-modeling of the spectral features in each coal and to relate them to the underlying chemical structures (particularly sulfur-containing heterocyclics). Finally, changes in the organic sulfur brought about by various coal treatments (desulfurizations) are followed through the concomitant alteration of their VHF-EPR spectra. 6 figs.
- Research Organization:
- Illinois Univ., Urbana, IL (United States)
- Sponsoring Organization:
- USDOE; USDOE, Washington, DC (United States)
- DOE Contract Number:
- FG22-88PC88921
- OSTI ID:
- 5444062
- Report Number(s):
- DOE/PC/88921-11; ON: DE91018058
- Country of Publication:
- United States
- Language:
- English
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Spin-mapping of coal structures with ESE and ENDOR
Spin-mapping of coal structures with ESE and ENDOR
Related Subjects
37 INORGANIC
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
COAL
STRUCTURAL CHEMICAL ANALYSIS
DESULFURIZATION
MAGNETIC RESONANCE
MOLECULAR STRUCTURE
PARAMAGNETISM
PROGRESS REPORT
SPECTRA
SPECTROSCOPY
SURFACE PROPERTIES
THIONAPHTHENES
THIOPHENE
CARBONACEOUS MATERIALS
CHEMICAL REACTIONS
DOCUMENT TYPES
ENERGY SOURCES
FOSSIL FUELS
FUELS
HETEROCYCLIC COMPOUNDS
MAGNETISM
MATERIALS
ORGANIC COMPOUNDS
ORGANIC SULFUR COMPOUNDS
RESONANCE
010600* - Coal
Lignite
& Peat- Properties & Composition
400102 - Chemical & Spectral Procedures
656002 - Condensed Matter Physics- General Techniques in Condensed Matter- (1987-)