Effect of Substituents on UV-Vis Spectra and RSA Properties of Phthalocyanine Compounds

Report No. ARL-TN-278
Authors: Jan Andzelm; Adam Rawlett; Joshua Orlicki; James Snyder; Kim Baldridge
Date/Pages: May 2007; 24 pages
Abstract: The use of optically transparent materials to modulate or impede laser light in a real-time setting is significant. This goal stimulates an interest in metalloporphyrins, phthalocyanines (PCs), naphthalocyanins, and their derivatives. The most desired derivatives would be optically transparent, absorb laser light, and also be soluble in water. PCs, with their stable, planar square structure and highly delocalized ¿-electron system, are being used in numerous technological applications, such as pigments, in chemical sensors, and more recently, as photosensitizers for photodynamic therapy. The nonlinear optical properties (NLO) of these compounds are of particular importance. Using quantum chemistry methods, we study both visual and NLO properties of phthalocyanines complexes with Si as a central atom. The effect of hydrophilic axial substituents of the material on their optical properties is examined. We are mainly interested in the PEG poly(ethylene oxide) as an axial substituent because it is used in our laboratory to synthesize soluble PC complexes.
Distribution: Approved for public release
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Last Update / Reviewed: May 1, 2007