Heats of formation of gas phase organosulfur molecules, radicals and ions measured by PEPICO, and application of /sup 17/O and /sup 33/S NMR spectroscopy to structure determinations of organosulfur compounds. Progress report, June 1984-March 1985
The photoionization studies have resulted in the determination of new heats of formation of the following molecules or ions: H/sub 2/S/sub 2/, C/sub 2/H/sub 5/S, C/sub 4/H/sub 9/SH/sup +/, C/sub 3/H/sub 7/S/sup +/. In addition, the dissociation mechanisms of diethyldisulfide and t-butyl sulfide have been investigated. These data clearly show that the ion t-butyl disulfide dissociates via a two component rate indicating that there exists an isomer which is lower in energy than that of t-butyl disulfide. During this contract period, we have also examined in considerable detail the /sup 17/O and /sup 33/S NMR spectral properties of numerous organosulfur compounds in an effort to identify substituent effects and trends which might serve as predictive parameters for the identification and verification of unknown organosulfur compounds. We have found new and convincing /sup 33/S NMR evidence favoring the dipolar description of the sulfinyl bond in sulfoxides. We have successfully established the analytical potential of both /sup 17/O and /sup 33/S NMR as useful methods for determining the composition of mixtures containing various oxidized organosulfur constituents. For the first time, we have applied the /sup 33/S NMR technique to the evaluation of organosulfur components in ''extracted'' coal samples, successfully observing a /sup 33/S resonance consistent with a family of aryl sulfonates. 19 refs., 3 figs., 5 tabs.
- Research Organization:
- North Carolina Univ., Chapel Hill (USA)
- DOE Contract Number:
- AS05-80ER10641
- OSTI ID:
- 5528729
- Report Number(s):
- DOE/ER/10641-T1; ON: DE85010558
- Country of Publication:
- United States
- Language:
- English
Similar Records
Heats of formation, structure, and heteroatom (/sup 17/O, /sup 33/S) NMR studies of organosulfur molecules, radicals, and ions: (Progress report)
Heats of formation of gas phase organosulfur molecules radicals and ions measured by Pipeco. Progress report, August 1981-May 31, 1982
Related Subjects
400500* -- Photochemistry
CARBONACEOUS MATERIALS
CHALCOGENIDES
COAL
DATA
DISULFIDES
ENERGY SOURCES
ENTHALPY
EVEN-ODD NUCLEI
EXPERIMENTAL DATA
FORMATION HEAT
FOSSIL FUELS
FUELS
HYDROGEN COMPOUNDS
HYDROGEN SULFIDES
INFORMATION
IONIZATION
ISOTOPES
LIGHT NUCLEI
MAGNETIC RESONANCE
MATERIALS
NUCLEAR MAGNETIC RESONANCE
NUCLEI
NUMERICAL DATA
ORGANIC ACIDS
ORGANIC COMPOUNDS
ORGANIC SULFUR COMPOUNDS
OXYGEN 17
OXYGEN ISOTOPES
PHOTOIONIZATION
PHYSICAL PROPERTIES
REACTION HEAT
RESONANCE
STABLE ISOTOPES
STRUCTURAL CHEMICAL ANALYSIS
SULFIDES
SULFONIC ACIDS
SULFOXIDES
SULFUR 33
SULFUR COMPOUNDS
SULFUR ISOTOPES
THERMODYNAMIC PROPERTIES