The singlet exciton fission (SF) mechanism is the split of a singlet excited state into two triplet excitons in organic materials. Alternatively, the fission process could split the singlet exciton into two fluorescent states, i.e. bright fission (BF). The idea of organic materials able to efficiently generate two emitting states from a single incident photon is extremely attractive and could have huge implications in a variety of technological applications, such as lasers, LED, plasma displays, detectors, bioimaging or photovoltaics. Harnessing the BF effect could represent a revolution in these areas, allowing the preparation organic thin films that could replace the actual expensive, narrow line-width inorganic materials with cheap, broadly absorbing organic compounds.<br/>In this work, I will focus my attention to set the theoretical foundations of BF by discussing possible electronic mechanisms, the role of different excited states with various physical nature, the presence of competing deactivation channels and the possible requirements for the BF viability. In a second part, I will computationally explore some of the properties related to BF in anthracene, such as optical transitions as good candidates to trigger BF, excitonic couplings between single and multiple excitons, the electronic structure of singlet-singlet states and the role of charge transfer configurations.

Bright fission: Singlet fission into a pair of emitting states

251st National Meeting (2016)

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