Search results for "Mechanistic organic photochemistry"
showing 4 items of 4 documents
Computational determination of the dominant triplet population mechanism in photoexcited benzophenone
2014
In benzophenone, intersystem crossing occurs efficiently between the S-1(n pi(star)) state and the T-1 state of dominant n pi(star) character, leading to excited triplet states after photoexcitation. The transition mechanism between S-1(n pi(star)) and T-1 is still a matter of debate, despite several experimental studies. Quantum mechanical calculations have been performed in order to assess the relative efficiencies of previously proposed mechanisms, in particular, the direct S-1 -> T-1 and indirect S-1 -> T-2(pi pi(star)) -> T-1 ones. Multiconfigurational wave function based methods are used to discuss the nature of the relevant states and also to determine minimum energy paths a…
Advances in photochemical and electrochemical incorporation of sulfur dioxide for the synthesis of value-added compounds.
2021
Organic photochemistry and electrochemistry currently receive tremendous attention in organic synthesis as both techniques enable the reagent-less activation of organic molecules without using expensive and hazardous redox reagents. The incorporation of SO2 into organic molecules is a relatively modern research topic, which likewise gains immense popularity since the discovery of the SO2 surrogate DABSO. Sulfur-containing organic molecules are omnipresent in pharmaceuticals and agrochemicals. This review covers the recent progress in electrochemical and photochemical methodologies for the incorporation and uses of SO2 in the synthesis of value-added compounds. Additionally, different work t…
Environmental Organic Photochemistry: Advances and Perspectives
2013
This review is a survey of recent advances in environment related aspects of organic photochemistry. Besides presenting gen- eral concepts, the manuscript is mainly focused on the photoreactivity of natural organic matter, and on the photochemistry of anthropo- genic substances under natural light irradiation.
Photochemical Functionalization of Allyl Benzoates by C-H Insertion
2013
The photoreactivity of allyl benzoates, containing an electron-rich double bond, has been explored by irradiation at 305 nm in different solvents. Solvent addition products arising from an insertion of the alpha H–C bonds of THF, dioxane, and i-PrOH to the allylic double bond was realized. The observed reactivity depended on reaction conditions and substitution pattern of the substrate. A DFT study on this unusual reaction was performed allowing the formulation of two mechanistic pathways.