Physical Chemistry of Molecules, Interfaces and Liquids – Spectroscopy, Kinetics B04

This project investigates the initial ultrafast dynamics of singlet fission in N-heteropolycycles, focusing on how molecular structure and packing govern reaction rates, relaxation pathways, electronic couplings, energy transfer, and loss channels. We apply complementary time-resolved spectroscopic techniques like 2D electronic spectroscopy, transient absorption, and time-resolved vibrational spectroscopy to probe charge and energy transfer processes across multiple timescales. Building on our prior work, we integrate multidimensional spectroscopic data with advanced kinetic analysis, including deep neural network-based ones, to extract relaxation dynamics and molecular mechanisms. In the current SFB, this approach is applied to functional spiro-bridged TPAs and azaacene hetero- and homo-dimers.