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• W4210700005 endingPage "137" @default.
• W4210700005 startingPage "129" @default.
• W4210700005 abstract "The reactions of coinage metal atoms Cu, Ag and Au with carbon suboxide (C3 O2 ) are studied by matrix isolation infrared spectroscopy. The weakly bound complexes TM-η1 -C3 O2 (TM=Cu, Ag, Au), in which the carbon suboxide ligand binds to the metal center in the monohapto fashion are formed as initial reaction products. The complexes subsequently isomerize to the inserted products OCTMCCO upon visible light (λ = 400-500 nm) excitation. The analysis of the electronic structure using modern quantum chemistry methods suggests that the linear OCTMCCO complexes are best described by the bonding interactions between the TM+ cation in the electronic singlet ground state and the [OC…CCO]- ligands in the doublet state forming two TM+ ← ligands σ donation and two TM+ → ligands π backdonation bonding components. In addition, the CuCCO, AgCCO and AuCCO complexes are also formed, which are predicted to be bent." @default.
• W4210700005 created "2022-02-08" @default.
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• W4210700005 date "2022-02-07" @default.
• W4210700005 modified "2023-10-12" @default.
• W4210700005 title "Formation and infrared spectroscopic characterization of carbon suboxide complexes <scp>TM‐<i>η</i>¹‐C₃O₂</scp> and the inserted ketenylidene complexes <scp>OCTMCCO</scp> (<scp>TM</scp>=Cu, Ag, Au) in solid neon" @default.
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• W4210700005 doi "https://doi.org/10.1002/jcc.26817" @default.
• W4210700005 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/35130353" @default.
• W4210700005 hasPublicationYear "2022" @default.
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