Lauren Bertram

Jan 8, 2025 | nature.com | Malcolm Garrow |Lauren Bertram |Andrew Prentice |Stuart W. Crane |Paul Lane |Martin J. Paterson | +1 more

AbstractVarious photoactive molecules contain motifs built on aza-aromatic heterocycles, although a detailed understanding of the excited state photophysics and photochemistry in such systems is not fully developed. To help address this issue, the non-adiabatic dynamics operating in azanaphthalenes under hexane solvation was studied following 267 nm excitation using ultrafast transient absorption spectroscopy.

Feb 10, 2023 | pubs.rsc.org | Lauren Bertram |Peter Weber |Adam Kirrander

Mapping the photochemistry of cyclopentadiene: From theory to ultrafast x-ray scattering Lauren Bertram,   Peter M. Weber  and  Adam Kirrander   Abstract The photoinduced ring-conversion reaction when cyclopentadiene (CP) is excited at 5.10 eV is simulated using surface-hopping semiclassical trajectories with XMS(3)-CASPT2(4,4)/cc-pVDZ electronic structure theory. In addition, PBE0/def2-SV(P) is employed for ground state propagation of the trajectories.