FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W4310368280> ?p ?o ?g. }

• W4310368280 abstract "The cationic complex [Ni(H)(OH)]+ was previously found to activate dioxygen and methane in gas phase under single collision conditions. These remarkable reactivities were thought to originate from a non-classical electronic structure, where the Ni-center adopts a Ni(II), instead of the classically expected Ni(III) oxidation state by formally accepting an electron from the hydroxo ligand, which formally becomes a hydroxyl radical in the process. Such radicaloid oxygen moieties are envisioned to easily react with otherwise inert substrates, mimicking familiar reactivities of free radicals. In this study, the reductive activation of dioxygen by [Ni(H)(OH)]+ to afford the hydroperoxo species was investigated using coupled cluster, multireference ab initio and density functional theory calculations. Orbital and wave function analyses indicate that O2 binding tranforms the aforementioned non-classical electronic structure to a classical Ni(III)-hydroxyl system, before O2 reduction takes place. Remarkably, we found no evidence for a direct involvement of the radicaloid hydroxyl in the reaction with O2 , as is often assumed. The function of the redox non-innocent character of the activator complex is to protect the reactive electronic structure until the complex engages O2 , upon which a dramatic electronic reorganization releases internal energy and drives the chemical reaction to completion." @default.
• W4310368280 created "2022-12-09" @default.
• W4310368280 creator A5027038854 @default.
• W4310368280 creator A5030203661 @default.
• W4310368280 creator A5037690164 @default.
• W4310368280 creator A5050215169 @default.
• W4310368280 creator A5084640120 @default.
• W4310368280 date "2023-02-09" @default.
• W4310368280 modified "2023-09-24" @default.
• W4310368280 title "The Role of the Redox Non‐Innocent Hydroxyl Ligand in the Activation of O ₂ Performed by [Ni(H)(OH)] ⁺" @default.
• W4310368280 cites W1826097811 @default.
• W4310368280 cites W1963757625 @default.
• W4310368280 cites W1967600412 @default.
• W4310368280 cites W1975614402 @default.
• W4310368280 cites W1977892176 @default.
• W4310368280 cites W1981118465 @default.
• W4310368280 cites W1983098087 @default.
• W4310368280 cites W1985380699 @default.
• W4310368280 cites W1988091937 @default.
• W4310368280 cites W1988949059 @default.
• W4310368280 cites W1989458048 @default.
• W4310368280 cites W1990614706 @default.
• W4310368280 cites W1991324143 @default.
• W4310368280 cites W1996779078 @default.
• W4310368280 cites W1997167145 @default.
• W4310368280 cites W2000649184 @default.
• W4310368280 cites W2002173606 @default.
• W4310368280 cites W2006361938 @default.
• W4310368280 cites W2008041424 @default.
• W4310368280 cites W2010213342 @default.
• W4310368280 cites W2011664369 @default.
• W4310368280 cites W2012458244 @default.
• W4310368280 cites W2017480941 @default.
• W4310368280 cites W2017894817 @default.
• W4310368280 cites W2020453204 @default.
• W4310368280 cites W2020551149 @default.
• W4310368280 cites W2022950330 @default.
• W4310368280 cites W2024756826 @default.
• W4310368280 cites W2029442289 @default.
• W4310368280 cites W2031856796 @default.
• W4310368280 cites W2039664517 @default.
• W4310368280 cites W2042267313 @default.
• W4310368280 cites W2043176868 @default.
• W4310368280 cites W2046721785 @default.
• W4310368280 cites W2052377158 @default.
• W4310368280 cites W2056572980 @default.
• W4310368280 cites W2067011309 @default.
• W4310368280 cites W2069690105 @default.
• W4310368280 cites W2072484925 @default.
• W4310368280 cites W2074824070 @default.
• W4310368280 cites W2079556556 @default.
• W4310368280 cites W2085544874 @default.
• W4310368280 cites W2086337797 @default.
• W4310368280 cites W2086957099 @default.
• W4310368280 cites W2094559512 @default.
• W4310368280 cites W2094642658 @default.
• W4310368280 cites W2098614082 @default.
• W4310368280 cites W2099308235 @default.
• W4310368280 cites W2100456799 @default.
• W4310368280 cites W2108135957 @default.
• W4310368280 cites W2109931506 @default.
• W4310368280 cites W2130046292 @default.
• W4310368280 cites W2138503485 @default.
• W4310368280 cites W2139134933 @default.
• W4310368280 cites W2143981217 @default.
• W4310368280 cites W2147899939 @default.
• W4310368280 cites W2154203493 @default.
• W4310368280 cites W2158221767 @default.
• W4310368280 cites W2162252932 @default.
• W4310368280 cites W2169977805 @default.
• W4310368280 cites W2170095176 @default.
• W4310368280 cites W2172844043 @default.
• W4310368280 cites W2246944211 @default.
• W4310368280 cites W2319044418 @default.
• W4310368280 cites W2322961427 @default.
• W4310368280 cites W2588174071 @default.
• W4310368280 cites W2949694966 @default.
• W4310368280 doi "https://doi.org/10.1002/chem.202203128" @default.
• W4310368280 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/36447369" @default.
• W4310368280 hasPublicationYear "2023" @default.
• W4310368280 type Work @default.
• W4310368280 citedByCount "1" @default.
• W4310368280 countsByYear W43103682802023 @default.
• W4310368280 crossrefType "journal-article" @default.
• W4310368280 hasAuthorship W4310368280A5027038854 @default.
• W4310368280 hasAuthorship W4310368280A5030203661 @default.
• W4310368280 hasAuthorship W4310368280A5037690164 @default.
• W4310368280 hasAuthorship W4310368280A5050215169 @default.
• W4310368280 hasAuthorship W4310368280A5084640120 @default.
• W4310368280 hasConcept C116569031 @default.
• W4310368280 hasConcept C139066938 @default.
• W4310368280 hasConcept C147597530 @default.
• W4310368280 hasConcept C152365726 @default.
• W4310368280 hasConcept C161790260 @default.
• W4310368280 hasConcept C170493617 @default.
• W4310368280 hasConcept C178790620 @default.
• W4310368280 hasConcept C179104552 @default.
• W4310368280 hasConcept C183882617 @default.
• W4310368280 hasConcept C185592680 @default.
• W4310368280 hasConcept C2776778087 @default.

• next