Heats of formation of gas phase organosulfur molecules, radicals, and ions measured by PEPICO and applications of /sup 17/O and /sup 33/S NMR spectroscopy to structure determinations of organosulfur compounds, June 1, 1983 to May 31, 1986
Organosulfur molecules will be investigated by photoionization techniques in order to accurately determine the heats of formation of organosulfur ions and fragments. The structures will be determined by ab initio molecular-orbital calculations. A considerable effort will be devoted to the study of both cyclic and acyclic disulfides, and the structures of their ions in the gas phase. Oxygen-17 and sulfur-33 NMR Spectroscopy will be used to explore the fundamental aspects of bonding interactions between S-S and S-O bonds. Both /sup 17/O and /sup 33/S NMR will be used for structure determinations with emphasis on (i) the influence of substituent effects on /sup 17/O and /sup 33/S NMR chemical shifts and (ii) development of rapid analytical method for determining the form of oxidized sulfur in organic mixtures. 2 figures, 1 table.
- Research Organization:
- North Carolina Univ., Chapel Hill (USA). Dept. of Chemistry
- DOE Contract Number:
- AS05-80ER10641
- OSTI ID:
- 6094044
- Report Number(s):
- DOE/ER/10641-1; ON: DE83013717
- 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 PEPICO, and application of /sup 17/O and /sup 33/S NMR spectroscopy to structure determinations of organosulfur compounds. Progress report, June 1, 1983-April 15, 1984
Related Subjects
400301* -- Organic Chemistry-- Chemical & Physicochemical Properties-- (-1987)
400500 -- Photochemistry
CHARGED PARTICLES
CHEMICAL BONDS
CHEMICAL SHIFT
ELECTRON SPECTROSCOPY
ENTHALPY
EVEN-ODD NUCLEI
FORMATION HEAT
IONIZATION
IONS
ISOTOPES
LIGHT NUCLEI
MAGNETIC RESONANCE
MOLECULAR ORBITAL METHOD
MOLECULES
NMR SPECTRA
NUCLEAR MAGNETIC RESONANCE
NUCLEI
ORGANIC COMPOUNDS
ORGANIC SULFUR COMPOUNDS
OXYGEN 17
OXYGEN ISOTOPES
PHOTOELECTRON SPECTROSCOPY
PHOTOIONIZATION
PHYSICAL PROPERTIES
RADICALS
REACTION HEAT
RESEARCH PROGRAMS
RESONANCE
SPECTRA
SPECTROSCOPY
STABLE ISOTOPES
STRUCTURAL CHEMICAL ANALYSIS
SULFUR 33
SULFUR ISOTOPES
THERMODYNAMIC PROPERTIES