ArticleJournal of molecular modeling2016
Is photoisomerization required for NO photorelease in ruthenium nitrosyl complexes?
Article in Journal of molecular modeling, 2016. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 10 papers.
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Who cites it
10 citing papers in PubMed.
- Photophysical Properties of a Mn(I) Tricarbonyl PhotoCORM With 8-Aminoquinoline Ligand: Insights From Theory.Journal of computational chemistry · 2026Article
- The Ruthenium Nitrosyl Moiety in Clusters: Trinuclear Linear μ-Hydroxido Magnesium(II)-Diruthenium(II), μInorganic chemistry · 2022Article
- Early Relaxation Dynamics in the Photoswitchable Complex trans-[RuCl(NO)(py)Chemistry (Weinheim an der Bergstrasse, Germany) · 2020Article
- CASPT2 Potential Energy Curves for NO Dissociation in a Ruthenium Nitrosyl Complex.Molecules (Basel, Switzerland) · 2020Article
- Multistep Photochemical Reactions of Polypyridine-Based Ruthenium Nitrosyl Complexes in Dimethylsulfoxide.Molecules (Basel, Switzerland) · 2020Article
- Excited state tracking during the relaxation of coordination compounds.Journal of computational chemistry · 2019Article
- Computational study of Ru-catalyzed cycloisomerization of 2-alkynylanilides.Journal of molecular modeling · 2018Article
- Transient metal-centered states mediate isomerization of a photochromic ruthenium-sulfoxide complex.Nature communications · 2018Article
- DFT Investigation of Ligand Photodissociation in [RuInorganic chemistry · 2018Article
- A Theoretical Study of the N to O Linkage Photoisomerization Efficiency in a Series of Ruthenium Mononitrosyl Complexes.Molecules (Basel, Switzerland) · 2017Article
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Authors and funding
5 authors.
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Abstract
The factors that explain the competition between intramolecular NO linkage photoisomerization and NO photorelease in five ruthenium nitrosyl complexes were investigated. By applying DFT-based methods, it was possible to characterize the ground states and lowest triplet potential energy surfaces of these species, and to establish that both photoisomerization and photorelease processes can occur in the lowest triplet state of each species. This work highlights the crucial role of the sideways-bonded isomer, a metastable state also known as the MS2 isomer, in the photochemical loss of NO, while the results obtained also indicate that the population of the triplet state of this isomer is compulsory for both processes and show how photoisomerization and photorelease interfere. Graphical Abstract Illustration of the crucial role of the
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