Ultrafast and radiationless electronic excited state decay of uracil and thymine cations: computing the effects of dynamic electron correlation

In this article we characterise the radiationless decay of the first few electronic excited states of the cations of DNA/RNA nucleobases uracil and thymine, including the effects of dynamic electron correlation on energies and geometries (optimised with XMS-CASPT2).

Restricted access to a conical intersection to explain aggregation induced emission in dimethyl tetraphenylsilole

Aggregation-induced emission of dimethyl tetraphenylsilole is due to restricted access to a conical intersection. The intersection allows for radiationless decay in solution but is not reachable in the aggregate phase.

Quantum dynamics of the photostability of pyrazine

We propose a new mechanism for the radiationless decay of photoexcited pyrazine to its ground electronic state involving a conical intersection between the dark Au(nπ) state and the ground state.