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Recent progress in ligand photorelease reaction mechanisms: Theoretical insights focusing on Ru(II) 3MC states
- Source :
- Coordination Chemistry Reviews, Coordination Chemistry Reviews, Elsevier, 2020, 408, pp.213184. ⟨10.1016/j.ccr.2020.213184⟩
- Publication Year :
- 2020
- Publisher :
- HAL CCSD, 2020.
-
Abstract
- International audience; The elucidation of reaction mechanisms taking place in the excited state is a current challenge for experimental and theoretical chemists. Ru(II) complexes have a long history for photophysics, and there is currently an increasing interest in their photochemistry. Ru(II) complexes provide a vast field of exploration, whether for synthetic purposes, to trigger molecular motions or to release biologically active components. The excited states involved, especially those of MLCT and MC character, are key to the rationalization of their photophysical and photochemical properties. This review focuses on the recent progress in the latter field through several case studies: i) the archetypes [Ru(bpy)3]2+ and [Ru(tpy)2]2+ first serve for the validation of the theoretical methods we are using; ii) then the study of photorelease of a monodentate ligand provides us with novel mechanistic hypotheses; iii) one step further, studying the photorelease mechanism of a bidentate ligand provides us with novel 3MC states of peculiar flattened geometry; iv) finally, returning to [Ru(bpy)3]2+ itself, we will show that the existence of these states can be generalized and probably represent a major player in the description of photoreactivity mechanisms, for ruthenium and possibly several other transition metals.
- Subjects :
- Reaction mechanism
Denticity
010405 organic chemistry
Ligand
chemistry.chemical_element
010402 general chemistry
01 natural sciences
0104 chemical sciences
3. Good health
Ruthenium
Inorganic Chemistry
[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry
Transition metal
chemistry
Computational chemistry
Excited state
Materials Chemistry
Theoretical chemistry
Molecular motion
Physical and Theoretical Chemistry
Subjects
Details
- Language :
- English
- ISSN :
- 00108545
- Database :
- OpenAIRE
- Journal :
- Coordination Chemistry Reviews, Coordination Chemistry Reviews, Elsevier, 2020, 408, pp.213184. ⟨10.1016/j.ccr.2020.213184⟩
- Accession number :
- edsair.doi.dedup.....0c0ae1b5523b95a11bba8e3e2bf8d2f1