Spectroscopic and TDDFT-based electronic structure analysis of porphyrin and phthalocyanine derivatives, and their transition metal complexes

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dc.contributor.authorNevonen, Dustin
dc.contributor.examiningcommitteeNemykin, Victor (Chemistry)en_US
dc.contributor.examiningcommitteeHerbert, David (Chemistry)en_US
dc.contributor.examiningcommitteevan Lierop, Johan (Physics and Astronomy)en_US
dc.contributor.examiningcommitteeKuss, Christian (Chemistry)en_US
dc.contributor.examiningcommitteeTykwinski, Rik (University of Alberta - Dept. of Chemistry)en_US
dc.contributor.guestmembersClay, Adam (Mathematics)en_US
dc.contributor.supervisorNemykin, Victor
dc.date.accessioned2022-07-08T21:25:04Z
dc.date.available2022-07-08T21:25:04Z
dc.date.copyright2022-07-08
dc.date.issued2022-07-08
dc.date.submitted2022-07-08T21:20:30Zen_US
dc.degree.disciplineChemistryen_US
dc.degree.levelDoctor of Philosophy (Ph.D.)en_US
dc.description.abstractThe overarching theme of this thesis involves the investigation of the electronic structures of porphyrin and phthalocyanine derivatives and the predictable manipulation of their molecular orbital energy levels induced via changes in aromatic macrocyclic structure, peripheral substitution, or axial ligation. Using both experimental spectroscopic (UV-vis, circular dichroism, magnetic circular dichroism) and theoretical (density functional theory and time-dependent DFT) techniques, the electronic structures of these macrocyclic systems were studied to provide tunable platforms to best suit their specific applications. Intended outcomes for these compounds include their use as photosensitizers for the photodynamic therapy of cancer, chemical sensors, and molecular wires.en_US
dc.description.noteOctober 2022en_US
dc.identifier.urihttp://hdl.handle.net/1993/36611
dc.language.isoengen_US
dc.rightsopen accessen_US
dc.subjectPorphyrinen_US
dc.subjectPhthalocyanineen_US
dc.subjectElectronic structureen_US
dc.titleSpectroscopic and TDDFT-based electronic structure analysis of porphyrin and phthalocyanine derivatives, and their transition metal complexesen_US
dc.typedoctoral thesisen_US
local.subject.manitobanoen_US
oaire.awardNumber5007478en_US
oaire.awardTitleNon-Covalent Supramolecular Donor-Acceptor Arrays with Nanocarbon Materials for Light-Harvestingen_US
oaire.awardURIhttp://www.nserc-crsng.gc.ca/ase-oro/Details-Detailles_eng.asp?id=710939en_US
project.funder.identifierhttps://doi.org/10.13039/501100000038en_US
project.funder.nameNatural Sciences and Engineering Research Council of Canadaen_US
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