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dc.contributor.advisorWatson, William H., Jr.
dc.contributor.authorKrawiec, Mariuszen_US
dc.date.accessioned2019-10-11T15:10:03Z
dc.date.available2019-10-11T15:10:03Z
dc.date.created1994en_US
dc.date.issued1994en_US
dc.identifieraleph-669209en_US
dc.identifierMicrofilm Diss. 632.en_US
dc.identifier.urihttps://repository.tcu.edu/handle/116099117/31816
dc.description.abstractIn this dissertation, the molecular and crystal structures of several compounds containing polycyclic moieties of $D\sb3$-trishomocubane (pentacyclo (6.3.0$\sp{2,6}$.0$\sp{3,10}$.0$\sp{5.9}$) undecane) and its isomer - pentacyclo (5.4.0$\sp{2,6}$.0$\sp{3,10}$.0$\sp{5,9}$) undecane are reported. The results of structural studies on a pair of tetracyclic compounds: an alcohol and a ketone, as well as a precursor of a molecular cleft host are also presented. The geometrical features of the compounds were compared with those of the parent hydrocarbons (obtained from theoretical calculations) as well as those of related structures (from the Cambridge Structural Database). The factors responsible for bond elongation observed in the pentacyclo (5.4.0$\sp{2,6}$.0$\sp{3,10}$.0$\sp{5,9}$) undecane derivatives were studied using ab initio and semiempirical methods as well as molecular mechanics. The results eliminate "through bond" interaction between substituents as a possible cause of the observed geometrical abnormalities. In the second part of the dissertation the results of structural analyses of a series of four mercaptocalix (4) arenes are reported. The observed structural differences are explained in terms of the differences between chemical properties of thionyl and hydroxyl groups. The structure of a recently synthesized calix (5) arene exhibiting unusual "squashed" cone conformation is also presented. The results of conformational studies using cluster analysis on over 100 calix (4) arene structures from the Cambridge Structural Database are given.
dc.format.extentxii, 191 leaves : illustrationsen_US
dc.format.mediumFormat: Printen_US
dc.language.isoengen_US
dc.relation.ispartofTexas Christian University dissertationen_US
dc.relation.ispartofAS38.K82en_US
dc.subject.lcshPolycyclic compounds--Analysisen_US
dc.subject.lcshCalixarenesen_US
dc.titleStructural studies of polycyclic compounds and calixarenesen_US
dc.typeTexten_US
etd.degree.departmentDepartment of Chemistry
etd.degree.levelDoctoral
local.collegeCollege of Science and Engineering
local.departmentChemistry and Biochemistry
local.academicunitDepartment of Chemistry
dc.type.genreDissertation
local.subjectareaChemistry and Biochemistry
dc.identifier.callnumberMain Stacks: AS38 .K82 (Regular Loan)
dc.identifier.callnumberSpecial Collections: AS38 .K82 (Non-Circulating)
etd.degree.nameDoctor of Philosophy
etd.degree.grantorTexas Christian University


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