Intermediate photofragment distributions as probes of non-adiabatic dynamics at conical intersections: application to the Hartley band of ozone.

Supplementary information for: Intermediate photofragment distributions as probes of non-adiabatic dynamics at conical intersections: Application to the Hartley band of ozone

Non-adiabatic dynamics close to conical intersections and the surface hopping perspective

Conical intersections play a major role in the current understanding of electronic de-excitation in polyatomic molecules, and thus in the description of photochemistry and photophysics of molecular systems. This article reviews aspects of the basic theory underlying the description of non-adiabatic transitions at conical intersections, with particular emphasis on the important case when the dyn...

The photodissociation dynamics of ozone at 193 nm: An O„D2... angular momentum polarization study

Polarized laser photolysis, coupled with resonantly enhanced multiphoton ionization detection of O D2 and velocity-map ion imaging, has been used to investigate the photodissociation dynamics of ozone at 193 nm. The use of multiple pump and probe laser polarization geometries and probe transitions has enabled a comprehensive characterization of the angular momentum polarization of the O D2 phot...

Time-resolved photoelectron spectra of CS2: dynamics at conical intersections.

We report results of the application of a fully ab initio approach for simulating time-resolved molecular-frame photoelectron angular distributions around conical intersections in CS2. The technique employs wave packet densities obtained with the multiple spawning method in conjunction with geometry- and energy-dependent photoionization matrix elements. The robust agreement of these results wit...

Observation of ultrafast NH3 (Ã) state relaxation dynamics using a combination of time-resolved photoelectron spectroscopy and photoproduct detection.

The ultrafast excited state relaxation of ammonia is investigated by resonantly exciting specific vibrational modes of the electronically excited NH(3) (Ã) state using three complementary femtosecond (fs) pump-probe techniques: time-resolved photoelectron, ion-yield and photofragment translational spectroscopy. Ammonia can be seen as a prototypical system for studying non-adiabatic dynamics and...