FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W3183158984> ?p ?o ?g. }

• W3183158984 endingPage "6721" @default.
• W3183158984 startingPage "6715" @default.
• W3183158984 abstract "NiII cyclam (cyclam = 1,4,8,11-tetraazacyclotetradecane) is an efficient catalyst for the selective reduction of CO2 to CO. A crucial elementary step in the proposed catalytic cycle is the coordination of CO2 to a NiI cyclam intermediate. Isolation and spectroscopic characterization of this labile NiI species without solvent has proven to be challenging, however, and only partial IR spectra have previously been reported using multiple photon fragmentation of ions generated by gas-phase electron transfer to the NiII cyclam dication at 300 K. Here, we report a chemical reduction method that efficiently prepares NiI cyclam in solution. This enables the NiI complex to be transferred into a cryogenic photofragmentation mass spectrometer using inert-gas-mediated electrospray ionization. The vibrational spectra of the 30 K ion using both H2 and N2 messenger tagging over the range 800-4000 cm-1 were then measured. The resulting spectra were analyzed with the aid of electronic structure calculations, which show strong method dependence in predicted band positions and small molecule activation. The conformational changes of the cyclam ligand induced by binding of the open shell NiI cation were compared with those caused by the spherical, closed-shell LiI cation, which has a similar ionic radius. We also report the vibrational spectrum of a NiI cyclam complex with a strongly bound O2 ligand. The cyclam ligand supporting this species exhibits a large conformational change compared to the complexes with weakly bound N2 and H2, which is likely due to significant charge transfer from Ni to the coordinated O2." @default.
• W3183158984 created "2021-08-02" @default.
• W3183158984 creator A5022283101 @default.
• W3183158984 creator A5030279099 @default.
• W3183158984 creator A5038615681 @default.
• W3183158984 creator A5044007767 @default.
• W3183158984 creator A5062709693 @default.
• W3183158984 creator A5074050227 @default.
• W3183158984 date "2021-07-29" @default.
• W3183158984 modified "2023-10-08" @default.
• W3183158984 title "Chemical Reduction of NiII Cyclam and Characterization of Isolated NiI Cyclam with Cryogenic Vibrational Spectroscopy and Inert-Gas-Mediated High-Resolution Mass Spectrometry" @default.
• W3183158984 cites W1923116472 @default.
• W3183158984 cites W1966792574 @default.
• W3183158984 cites W1976140766 @default.
• W3183158984 cites W1990751678 @default.
• W3183158984 cites W2028462664 @default.
• W3183158984 cites W2045639284 @default.
• W3183158984 cites W2066429539 @default.
• W3183158984 cites W2066879735 @default.
• W3183158984 cites W2077210310 @default.
• W3183158984 cites W2078289736 @default.
• W3183158984 cites W2080140933 @default.
• W3183158984 cites W2090156472 @default.
• W3183158984 cites W2108967153 @default.
• W3183158984 cites W2147466839 @default.
• W3183158984 cites W2150697053 @default.
• W3183158984 cites W2162249993 @default.
• W3183158984 cites W2172318400 @default.
• W3183158984 cites W2266075419 @default.
• W3183158984 cites W2320099655 @default.
• W3183158984 cites W2320321141 @default.
• W3183158984 cites W2325384140 @default.
• W3183158984 cites W2331022453 @default.
• W3183158984 cites W246878983 @default.
• W3183158984 cites W2532956104 @default.
• W3183158984 cites W2558450319 @default.
• W3183158984 cites W2586314783 @default.
• W3183158984 cites W2724123589 @default.
• W3183158984 cites W2725648806 @default.
• W3183158984 cites W2760770768 @default.
• W3183158984 cites W2761252184 @default.
• W3183158984 cites W2761959175 @default.
• W3183158984 cites W2771222095 @default.
• W3183158984 cites W2782879485 @default.
• W3183158984 cites W2788631119 @default.
• W3183158984 cites W2790507915 @default.
• W3183158984 cites W2799986111 @default.
• W3183158984 cites W2800276624 @default.
• W3183158984 cites W2895297278 @default.
• W3183158984 cites W2895887296 @default.
• W3183158984 cites W2908779306 @default.
• W3183158984 cites W2952587579 @default.
• W3183158984 cites W2953181224 @default.
• W3183158984 cites W2962812409 @default.
• W3183158984 cites W2969919521 @default.
• W3183158984 cites W3008430559 @default.
• W3183158984 cites W3080522554 @default.
• W3183158984 cites W3113082701 @default.
• W3183158984 doi "https://doi.org/10.1021/acs.jpca.1c05016" @default.
• W3183158984 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/34324319" @default.
• W3183158984 hasPublicationYear "2021" @default.
• W3183158984 type Work @default.
• W3183158984 sameAs 3183158984 @default.
• W3183158984 citedByCount "0" @default.
• W3183158984 crossrefType "journal-article" @default.
• W3183158984 hasAuthorship W3183158984A5022283101 @default.
• W3183158984 hasAuthorship W3183158984A5030279099 @default.
• W3183158984 hasAuthorship W3183158984A5038615681 @default.
• W3183158984 hasAuthorship W3183158984A5044007767 @default.
• W3183158984 hasAuthorship W3183158984A5062709693 @default.
• W3183158984 hasAuthorship W3183158984A5074050227 @default.
• W3183158984 hasBestOaLocation W31831589842 @default.
• W3183158984 hasConcept C116569031 @default.
• W3183158984 hasConcept C145148216 @default.
• W3183158984 hasConcept C147789679 @default.
• W3183158984 hasConcept C162356407 @default.
• W3183158984 hasConcept C170493617 @default.
• W3183158984 hasConcept C178790620 @default.
• W3183158984 hasConcept C185592680 @default.
• W3183158984 hasConcept C2776384444 @default.
• W3183158984 hasConcept C32909587 @default.
• W3183158984 hasConcept C40325409 @default.
• W3183158984 hasConcept C43617362 @default.
• W3183158984 hasConcept C544153396 @default.
• W3183158984 hasConcept C55493867 @default.
• W3183158984 hasConcept C66009135 @default.
• W3183158984 hasConcept C8010536 @default.
• W3183158984 hasConceptScore W3183158984C116569031 @default.
• W3183158984 hasConceptScore W3183158984C145148216 @default.
• W3183158984 hasConceptScore W3183158984C147789679 @default.
• W3183158984 hasConceptScore W3183158984C162356407 @default.
• W3183158984 hasConceptScore W3183158984C170493617 @default.
• W3183158984 hasConceptScore W3183158984C178790620 @default.
• W3183158984 hasConceptScore W3183158984C185592680 @default.
• W3183158984 hasConceptScore W3183158984C2776384444 @default.
• W3183158984 hasConceptScore W3183158984C32909587 @default.
• W3183158984 hasConceptScore W3183158984C40325409 @default.
• W3183158984 hasConceptScore W3183158984C43617362 @default.

• next