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dc.contributor.advisorBachrach, Steven M., 1959-en_US
dc.contributor.authorMagdalinos, Peteren_US
dc.date.accessioned2016-01-11T17:13:14Z
dc.date.available2016-01-11T17:13:14Z
dc.date.issued1997
dc.identifier.urihttp://commons.lib.niu.edu/handle/10843/14820
dc.descriptionIncludes bibliographical references (pages [46]-48)en_US
dc.description.abstractThe Diels-Alder Reaction between 1,3,5-triphosphabenzene and phosphaacetylene, forming tetraphosphabarrelene, was examined. This reaction was then compared to its carbon analogue (benzene + acetylene). The phosphorus reaction gave a smaller activation energy than the carbon system, as well as producing a higher degree of exothermicity. These results are consistent with the previous work done on phosphorus substituted systems. All structures were optimized to the MP4/6-31G*//MP2/6-31G* level. Transition states, as well as ground states, were verified by analytical frequency calculations. Topological electron density analysis was performed on all species, and showed that both reactions are synchronous and concerted. Secondly, the [2+2] cycloaddition (self-addition) of 1H, 3Himinomethylidene phosphine was studied. Resulting products were a variety of 1,2- and 1,3- diphosphetane isomers. Our investigation reveals that formation of the 1,2-diphosphetanes proceeds in a single step, while the 1,3-diphosphetane is formed via a two step mechanism. Formation of the 1,3- product is kinetically favored, and is usually the observed product. The 1,2- product is thermodynamically favored, but is only observed under certain conditions.en_US
dc.format.extentiv, 48 pagesen_US
dc.language.isoengen_US
dc.publisherNorthern Illinois Universityen_US
dc.rightsNIU theses are protected by copyright. They may be viewed from Huskie Commons for any purpose, but reproduction or distribution in any format is prohibited without the written permission of the authors.en_US
dc.subject.lcshOrganophosphorus compoundsen_US
dc.subject.lcshAlkenesen_US
dc.subject.lcshChemistry, Physical organicen_US
dc.subject.lcshAlkynesen_US
dc.titleAb initio studies of pericyclic reactions involving phosphorus substituted alkenes and alkynesen_US
dc.type.genreDissertation/Thesisen_US
dc.typeTexten_US
dc.contributor.departmentDepartment of Chemistryen_US
dc.description.degreeM.S. (Master of Science)en_US


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