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dc.contributor.supervisor van Wijngaarden, Jennifer (Chemistry) en_US
dc.contributor.author Kamaee, Mahdi
dc.date.accessioned 2015-01-13T14:58:54Z
dc.date.available 2015-01-13T14:58:54Z
dc.date.issued 2015-01-13
dc.identifier.uri http://hdl.handle.net/1993/30203
dc.description.abstract In this thesis work, the results of microwave investigation and structural determination for benzonitrile and some of its fluorinated derivatives are presented. The pure rotational spectra of the studied compounds including benzonitrile, 2-fluorobenzonitrile, 3-fluorobenzonitrile, 2,3-difluorobenzonitrile, 2,4-difluorobenzonitrile and pentafluorobenzonitrile were investigated. Measuring the rotational spectra of the parent molecules and the minor 13C and 15N isotopic species allowed the derivation of the substitution and effective structures for these molecules. Using the effective and the calculated ab initio structures, the geometries of the fluorinated derivatives were compared to that of the reference compound (benzonitrile) and the effect of single, double and full fluorination on the geometry of benzonitrile was examined. The observed distortions in the BN geometry caused by single, double and full fluorination were interpreted by hybridization theory and intramolecular non-bonded interactions. en_US
dc.rights info:eu-repo/semantics/openAccess
dc.subject Microwave study en_US
dc.subject Rotational spectrum en_US
dc.subject Benzonitrile en_US
dc.subject Fluorinated benzonitriles en_US
dc.subject Molecular structure en_US
dc.title Microwave study and molecular structure of fluorinated benzonitriles en_US
dc.type info:eu-repo/semantics/masterThesis
dc.degree.discipline Chemistry en_US
dc.contributor.examiningcommittee Budzelaar, Peter (Chemistry) Bieringer, Mario (Chemistry) Shamseddine, khodr (Physics and Astronomy) en_US
dc.degree.level Master of Science (M.Sc.) en_US
dc.description.note February 2015 en_US


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