Document Type
Thesis
Date of Award
5-31-1987
Degree Name
Master of Science in Chemistry - (M.S.)
Department
Chemical Engineering, Chemistry and Environmental Science
First Advisor
Arthur Greenberg
Second Advisor
Barbara B. Kebbekus
Third Advisor
Carol A. Venanzi
Abstract
PART A: The total thirty samples came from wastes incineration of five industry companies in New Jersey have been examined. The EOM levels showed, especially for the less polar substances, lower than if they were collected at room temperature in the manner of ambient sampling. HPLC analyses of PAH, nitro-PAH and Quinone-PAH have been performed. Brief comparison is made with previous study.
PART B: Ab initio Molecular orbital calculations using the 3-21G basis set provide good approximations to the experimental geometries of substituted strained organic molecules. A series of disubstituted prismanes have been calculated at this level and the effects of substituents upon geometries rationalized in terms of the molecular orbitals of the parent molecules. Evidence is presented which indicates that prismane conjugate more strongly with pi-accepting substituents than does cyclopropane. The calculation of some monosubstituted guadricyclane compounds was made for comparison. A series of substituted cyclopropene have been also calculated. Brief comparison is made with the crystal structure of l,2-diphenyl-3-nitro-cyclopropene. The very long C-N bond indicate a tendency toward unprecedented heterolysis of the C-NO bond; this tendency is only slightly apparent in the isolated (model) 3-nitrocyclopropene.
Recommended Citation
Lyu, Ping Chiang, "Analysis of polycyclic aromatic hydrocarbon (PAH) in stack sample particulates formed during waste combustion ; Substituent effects on the strain molecules" (1987). Theses. 3285.
https://digitalcommons.njit.edu/theses/3285
