Publication: Spectroscopic and Theoretical Properties of a Porphyrin-Like Helicene

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Title	Spectroscopic and Theoretical Properties of a Porphyrin-Like Helicene
Authors/Editors*	C. Magee
Where published*	UWO
How published*	Thesis
Year*	2007
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Keywords	porphyrins, phthalocyanines, magnetic circular dichroism spectroscopy, Gaussian
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Abstract	Porphyrinoids have been a major interest in research due to their vibrant colours and diverse redox properties. In this project, the theoretical and spectroscopic properties of a zinc phthalocyanine, zinc helicenocyanine (ZnHc), were analyzed. It has been reported that ZnHc forms a dimer in organic solvents such as hexane or toluene. The UV-visible spectrum contains a strong optical absorbance across the entire UV-visible spectral region typical of a highly aggregated phthalocyanine. The absorption and MCD spectra of monomeric and dimeric ZnHc were measured. These forms of ZnHc were obtained by allowing cyanide to coordinate to the zinc metal ion. The emission spectrum of ZnHc was measured. Theoretical calculations of the monomeric and dimeric structures were performed allowing for structural models and molecular orbital energies to be determined. A model for the dissociation of the ZnHc aggregate to monomeric species is proposed.