Magnetic and spectroscopic studies of Donor-Bridge-Acceptor biradicals employing conjugated, cross-conjugated, and σ-type bridges will be presented and discussed. The experimental results have been interpreted in the context of detailed bonding and spectroscopic computations in order to understand key excited state electronic structure contributions to ground state molecular electronic coupling. The work reveals the relative importance of (1) donor-bridge, bridge-bridge, and bridge-acceptor interactions, (2) cross-conjugated vs. conjugated bridges, and (3) donor-bridge and bridge-acceptor torsions in defining the magnitude of the electronic couplings at parity of the Donor and Acceptor. Parallels are drawn to molecular electron transfer/transport and quantum interference phenomena.

Distance, conjugation, and torsional dependence of molecular electronic coupling

251st National Meeting (2016)

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