The rational design and optimization of new molecular photonic materials involves addressing chemical factors that affect their molecular first hyperpolarizabilities. We are exploring the use of non-conjugated rigid, bridge charged donor-acceptor species in NLO design due to their calculated high hyperpolarizabilities, absorption features and synthetic control. Figure 1 � Substituted [5.6.7] quinarene structures being explored. The synthesis of the nonlinear optical target species being explored (shown below) is based upon a substituted [5.6.7] quinarene structures. These substituted hydrindacene structures feature strong donor and acceptor moieties that are orthogonal to the central benzene ring system due to steric constraints. Theoretical calculations for these structurally rigid NLOs have shown them to display very large first hyperpolarizabilities. In attempts to functionalize [5.6.7] quinarene, several synthetic pathways have been explored; such as synthesis of the hydrindacene core before the addition of donor and acceptor rings, as well as a partial synthesis of the core before ring addition. The current pathways for the synthesis of our target molecule will be presented. 

Functionalization of [5.6.7] quinarene for nonlinear optical tuning

247th National Meeting (2014)

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