Matches in SemOpenAlex for { <https://semopenalex.org/work/W2086248810> ?p ?o ?g. }
- W2086248810 endingPage "600" @default.
- W2086248810 startingPage "587" @default.
- W2086248810 abstract "Analysis of the evolution of the binding energy to a late first-row transition metal cation M+ shows that the third ligand is significantly less strongly bound than the two first. The present study suggests that a new type of cluster-assisted reactions could be induced by the metal center when it is tri-coordinated. Cu+ complexes have been chosen as models for the quantum chemical calculations (density functional and post-Hartree–Fock ab initio). First, an emphasis is made on the analysis of the evolution of the binding energy as the coordination number n varies from 1 to 4 in Cu+(H2O)n and Cu+(CO)n. The evolution of the electronic repulsion between the σ donating orbitals of the ligands and the 3d orbitals is discussed in details. Second, we consider the successive substitution reactions of CO by H2O ligand from Cu+(CO)n (n=1–4). Our calculations suggest that rather than the simple substitution reaction of CO by ROR′ (R, R′=H, alkyl), formation of an acid or ester could occur in the coordination sphere of the metal. Whereas kinetics is likely to be unfavorable in the case of Cu+, such condensation reaction of ROR′ and CO could be observed with late first-row transition metal cations such as Fe+." @default.
- W2086248810 created "2016-06-24" @default.
- W2086248810 creator A5008640509 @default.
- W2086248810 creator A5038220232 @default.
- W2086248810 creator A5072619527 @default.
- W2086248810 date "2003-07-01" @default.
- W2086248810 modified "2023-09-30" @default.
- W2086248810 title "Condensation reaction vs. ligand exchange with first-row transition metal cations: a theoretical study of Cu+ heteroleptic model complexes" @default.
- W2086248810 cites W1581832055 @default.
- W2086248810 cites W1584471180 @default.
- W2086248810 cites W1676089485 @default.
- W2086248810 cites W1970415031 @default.
- W2086248810 cites W1971275758 @default.
- W2086248810 cites W1971860312 @default.
- W2086248810 cites W1976828279 @default.
- W2086248810 cites W1982881684 @default.
- W2086248810 cites W1988599012 @default.
- W2086248810 cites W1993077801 @default.
- W2086248810 cites W1996900902 @default.
- W2086248810 cites W1997186396 @default.
- W2086248810 cites W2000694430 @default.
- W2086248810 cites W2012424963 @default.
- W2086248810 cites W2013393375 @default.
- W2086248810 cites W2018937156 @default.
- W2086248810 cites W2044507210 @default.
- W2086248810 cites W2051434028 @default.
- W2086248810 cites W2056210212 @default.
- W2086248810 cites W2063699850 @default.
- W2086248810 cites W2069006374 @default.
- W2086248810 cites W2074485220 @default.
- W2086248810 cites W2075381847 @default.
- W2086248810 cites W2075557069 @default.
- W2086248810 cites W2075940804 @default.
- W2086248810 cites W2092263997 @default.
- W2086248810 cites W2097281583 @default.
- W2086248810 cites W2100897959 @default.
- W2086248810 cites W2139109325 @default.
- W2086248810 cites W2143981217 @default.
- W2086248810 cites W2148284063 @default.
- W2086248810 cites W2167766581 @default.
- W2086248810 cites W2240563238 @default.
- W2086248810 cites W2949694966 @default.
- W2086248810 cites W2950929165 @default.
- W2086248810 cites W3145455411 @default.
- W2086248810 cites W4249430587 @default.
- W2086248810 doi "https://doi.org/10.1016/s1387-3806(03)00099-x" @default.
- W2086248810 hasPublicationYear "2003" @default.
- W2086248810 type Work @default.
- W2086248810 sameAs 2086248810 @default.
- W2086248810 citedByCount "1" @default.
- W2086248810 countsByYear W20862488102015 @default.
- W2086248810 crossrefType "journal-article" @default.
- W2086248810 hasAuthorship W2086248810A5008640509 @default.
- W2086248810 hasAuthorship W2086248810A5038220232 @default.
- W2086248810 hasAuthorship W2086248810A5072619527 @default.
- W2086248810 hasConcept C106773901 @default.
- W2086248810 hasConcept C116569031 @default.
- W2086248810 hasConcept C121332964 @default.
- W2086248810 hasConcept C147597530 @default.
- W2086248810 hasConcept C161790260 @default.
- W2086248810 hasConcept C170493617 @default.
- W2086248810 hasConcept C178790620 @default.
- W2086248810 hasConcept C179104552 @default.
- W2086248810 hasConcept C185592680 @default.
- W2086248810 hasConcept C188027245 @default.
- W2086248810 hasConcept C200093464 @default.
- W2086248810 hasConcept C207245611 @default.
- W2086248810 hasConcept C544153396 @default.
- W2086248810 hasConcept C55493867 @default.
- W2086248810 hasConcept C97355855 @default.
- W2086248810 hasConceptScore W2086248810C106773901 @default.
- W2086248810 hasConceptScore W2086248810C116569031 @default.
- W2086248810 hasConceptScore W2086248810C121332964 @default.
- W2086248810 hasConceptScore W2086248810C147597530 @default.
- W2086248810 hasConceptScore W2086248810C161790260 @default.
- W2086248810 hasConceptScore W2086248810C170493617 @default.
- W2086248810 hasConceptScore W2086248810C178790620 @default.
- W2086248810 hasConceptScore W2086248810C179104552 @default.
- W2086248810 hasConceptScore W2086248810C185592680 @default.
- W2086248810 hasConceptScore W2086248810C188027245 @default.
- W2086248810 hasConceptScore W2086248810C200093464 @default.
- W2086248810 hasConceptScore W2086248810C207245611 @default.
- W2086248810 hasConceptScore W2086248810C544153396 @default.
- W2086248810 hasConceptScore W2086248810C55493867 @default.
- W2086248810 hasConceptScore W2086248810C97355855 @default.
- W2086248810 hasIssue "3" @default.
- W2086248810 hasLocation W20862488101 @default.
- W2086248810 hasOpenAccess W2086248810 @default.
- W2086248810 hasPrimaryLocation W20862488101 @default.
- W2086248810 hasRelatedWork W2316528012 @default.
- W2086248810 hasRelatedWork W2320589942 @default.
- W2086248810 hasRelatedWork W2346687076 @default.
- W2086248810 hasRelatedWork W2396898409 @default.
- W2086248810 hasRelatedWork W2406254285 @default.
- W2086248810 hasRelatedWork W2604507755 @default.
- W2086248810 hasRelatedWork W2949243153 @default.
- W2086248810 hasRelatedWork W2949268698 @default.
- W2086248810 hasRelatedWork W2950652826 @default.