In this chapter we are concerned with the mechanisms of organic photochemical reactions. Two important features of mechanisms are the correlation of molecular structure with reactivity and the investigation and establishment of the details of the elementary steps involved in a photochemical process as *R proceeds to P. We shall be concerned with the experimental tools for characterizing the str...

We present an efficient method for the simulation of time-resolved photoelectron imaging (TRPEI) spectra in polyatomic molecules. Our approach combines trajectory-based molecular dynamics that account for non-adiabatic effects using surface hopping, with an approximate treatment of the photoionization process using Dyson orbitals as initial and Coulomb waves as final electron states. The method...

The photodegradation of pesticides is reviewed, with particular reference to the studies that describe the mechanisms of the processes involved, the nature of reactive intermediates and final products. Potential use of photochemical processes in advanced oxidation methods for water treatment is also discussed. Processes considered include direct photolysis leading to homolysis or heterolysis of...

The article considers the photochemical degradation of phenol solution in presence TiO2 nanoparticles, which synthesized moderate conditions and dimensions vary between 10-30 nm 100 mg/ml NH4OH solution. appearance dissociation was confirmed on basis absorption curves taken before after process Abs were drawn “Varian” device. Phenol's UV-visible area has been by experiments.

With the present theoretical study of the photochemical switching of E-methylfurylfulgide we contribute an important step towards the understanding of the photochemical processes in furylfulgide-related molecules. We have carried out large-scale, full-dimensional direct semiempirical configuration-interaction surface-hopping dynamics of the photoinduced ring-closure reaction. Simulated static a...