Search results for "Bond breaking"
showing 3 items of 3 documents
On the N1-H and N3-H Bond Dissociation in Uracil by Low Energy Electrons: A CASSCF/CASPT2 Study.
2015
The dissociative electron-attachment (DEA) phenomena at the N1-H and N3-H bonds observed experimentally at low energies (<3 eV) in uracil are studied with the CASSCF/CASPT2 methodology. Two valence-bound π(-) and two dissociative σ(-) states of the uracil anionic species, together with the ground state of the neutral molecule, are proven to contribute to the shapes appearing in the experimental DEA cross sections. Conical intersections (CI) between the π(-) and σ(-) are established as the structures which activate the DEA processes. The N1-H and N3-H DEA mechanisms in uracil are described, and experimental observations are interpreted on the basis of two factors: (1) the relative energy of …
Selective Metal–Ligand Bond-Breaking Driven by Weak Intermolecular Interactions: From Metamagnetic Mn(III)-Monomer to Hexacyanoferrate(II)-Bridged Me…
2020
Metal–ligand coordination interactions are usually much stronger than weak intermolecular interactions. Nevertheless, here, we show experimental evidence and theoretical confirmation of a very rare...
Photo Induced Radical Reactions
2012
This article discusses a number of reactions of potential synthetic interest occurring through photochemically generated organic radicals. Emphasis is placed on the nature of the resulting photoproducts, whose formation is discussed on a mechanistic basis. If available, experimental evidence (obtained by laser flash photolysis or related time-resolved techniques) is provided. The material is organized according to the reaction types, for instance, homolytic cleavage, mesolytic cleavage, radical addition, and oxidative or reductive electron transfer. In addition to the classical carboncarbon or carbonhydrogen bond breaking processes, such as the Norrish type I reaction, the hydrogen abstract…