FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W3116119992> ?p ?o ?g. }

• W3116119992 endingPage "111331" @default.
• W3116119992 startingPage "111331" @default.
• W3116119992 abstract "The formation of hydride derivatives of sulfonated palladium(II) salan (hydrogenated salen) complexes was studied with DFT methods. The non-hydrolytic property, chirality, and flexibility lead to a significant difference compared to salen derivatives. We made a detailed computational study to understand the relevance of the flexibility in contrast to the rigid salen complex. Two main pathways were investigated: one of them was a direct monohydride formation where the oxygen of the phenolate group was substituted by a hydrogen molecule followed by a proton transfer. Another was an indirect monohydride formation involving the substitution of phenolate arm by a solvent water molecule in the first step and subsequent reaction with H2 in the second. We focused on weak interactions among the Pd-complex and water molecules. Trigonal, square, and diamond motifs of H-bond networks were found around the oxygen atom of the phenolate arm which is crucial during the proton transfer step, however, substitution steps prefer chain type motifs." @default.
• W3116119992 created "2021-01-05" @default.
• W3116119992 creator A5006578363 @default.
• W3116119992 creator A5020399650 @default.
• W3116119992 creator A5026080541 @default.
• W3116119992 creator A5073563003 @default.
• W3116119992 creator A5074217035 @default.
• W3116119992 date "2021-01-01" @default.
• W3116119992 modified "2023-10-08" @default.
• W3116119992 title "Water-mediated formation of hydride derivates from flexible Pd-salan complexes: A DFT study" @default.
• W3116119992 cites W1969271505 @default.
• W3116119992 cites W1973959552 @default.
• W3116119992 cites W1980997110 @default.
• W3116119992 cites W1981175025 @default.
• W3116119992 cites W1986299094 @default.
• W3116119992 cites W1994853346 @default.
• W3116119992 cites W1994989211 @default.
• W3116119992 cites W2011563676 @default.
• W3116119992 cites W2015102322 @default.
• W3116119992 cites W2015723183 @default.
• W3116119992 cites W2022797300 @default.
• W3116119992 cites W2047675144 @default.
• W3116119992 cites W2058210956 @default.
• W3116119992 cites W2066457233 @default.
• W3116119992 cites W2070865627 @default.
• W3116119992 cites W2078146328 @default.
• W3116119992 cites W2095474273 @default.
• W3116119992 cites W2105741223 @default.
• W3116119992 cites W2126319150 @default.
• W3116119992 cites W2127287360 @default.
• W3116119992 cites W2150697053 @default.
• W3116119992 cites W2150829534 @default.
• W3116119992 cites W2156403978 @default.
• W3116119992 cites W2315909663 @default.
• W3116119992 cites W2330606537 @default.
• W3116119992 cites W2515151161 @default.
• W3116119992 cites W2755783525 @default.
• W3116119992 cites W2777645867 @default.
• W3116119992 cites W2782652315 @default.
• W3116119992 cites W2792606969 @default.
• W3116119992 cites W2888019086 @default.
• W3116119992 cites W2900158075 @default.
• W3116119992 cites W2903076868 @default.
• W3116119992 cites W2921966668 @default.
• W3116119992 cites W2952044099 @default.
• W3116119992 cites W2952835969 @default.
• W3116119992 cites W2970117252 @default.
• W3116119992 cites W2982340080 @default.
• W3116119992 doi "https://doi.org/10.1016/j.mcat.2020.111331" @default.
• W3116119992 hasPublicationYear "2021" @default.
• W3116119992 type Work @default.
• W3116119992 sameAs 3116119992 @default.
• W3116119992 citedByCount "1" @default.
• W3116119992 countsByYear W31161199922022 @default.
• W3116119992 crossrefType "journal-article" @default.
• W3116119992 hasAuthorship W3116119992A5006578363 @default.
• W3116119992 hasAuthorship W3116119992A5020399650 @default.
• W3116119992 hasAuthorship W3116119992A5026080541 @default.
• W3116119992 hasAuthorship W3116119992A5073563003 @default.
• W3116119992 hasAuthorship W3116119992A5074217035 @default.
• W3116119992 hasBestOaLocation W31161199922 @default.
• W3116119992 hasConcept C112887158 @default.
• W3116119992 hasConcept C161790260 @default.
• W3116119992 hasConcept C178790620 @default.
• W3116119992 hasConcept C185592680 @default.
• W3116119992 hasConcept C2777961443 @default.
• W3116119992 hasConcept C2780471494 @default.
• W3116119992 hasConcept C32909587 @default.
• W3116119992 hasConcept C502130503 @default.
• W3116119992 hasConcept C512968161 @default.
• W3116119992 hasConcept C75473681 @default.
• W3116119992 hasConcept C8010536 @default.
• W3116119992 hasConceptScore W3116119992C112887158 @default.
• W3116119992 hasConceptScore W3116119992C161790260 @default.
• W3116119992 hasConceptScore W3116119992C178790620 @default.
• W3116119992 hasConceptScore W3116119992C185592680 @default.
• W3116119992 hasConceptScore W3116119992C2777961443 @default.
• W3116119992 hasConceptScore W3116119992C2780471494 @default.
• W3116119992 hasConceptScore W3116119992C32909587 @default.
• W3116119992 hasConceptScore W3116119992C502130503 @default.
• W3116119992 hasConceptScore W3116119992C512968161 @default.
• W3116119992 hasConceptScore W3116119992C75473681 @default.
• W3116119992 hasConceptScore W3116119992C8010536 @default.
• W3116119992 hasFunder F4320325658 @default.
• W3116119992 hasLocation W31161199921 @default.
• W3116119992 hasLocation W31161199922 @default.
• W3116119992 hasLocation W31161199923 @default.
• W3116119992 hasOpenAccess W3116119992 @default.
• W3116119992 hasPrimaryLocation W31161199921 @default.
• W3116119992 hasRelatedWork W1973008243 @default.
• W3116119992 hasRelatedWork W1997130641 @default.
• W3116119992 hasRelatedWork W2063279849 @default.
• W3116119992 hasRelatedWork W2074200550 @default.
• W3116119992 hasRelatedWork W2079346183 @default.
• W3116119992 hasRelatedWork W2080302028 @default.
• W3116119992 hasRelatedWork W2500179633 @default.
• W3116119992 hasRelatedWork W2788975530 @default.
• W3116119992 hasRelatedWork W4220928466 @default.

• next