FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W4317757255> ?p ?o ?g. }

• W4317757255 endingPage "965" @default.
• W4317757255 startingPage "956" @default.
• W4317757255 abstract "The synthesis of novel aluminyl anion complexes has been well exploited in recent years. Moreover, the elucidation of the structure and reactivity of these complexes opens the path toward a new understanding of low-valent aluminum complexes and their chemistry. This work computationally treats the substituent effect on aluminyl anions to discover suitable alternatives for H2 activation at a high level of theory utilizing coupled-cluster techniques extrapolated to the complete basis set. The results reveal that the simplest AlH2– system is the most reactive toward the activation of H2, but due to the low steric demand, severe difficulty in the stabilization of this system makes its use nonviable. However, the results indicate that, in principle, aluminyl systems with −C, −CN, −NC, and −N chelating centers would be the best choices of ligand toward the activation of molecular hydrogen by taking care of suitable steric demand to prevent dimerization of the catalysts. Furthermore, computations show that monosubstitution (besides −H) in aluminyl anions is preferred over disubstitution. So our predictions show that bidentate ligands may yield less reactive aluminyl anions to activate H2 than monodentate ones." @default.
• W4317757255 created "2023-01-23" @default.
• W4317757255 creator A5008289548 @default.
• W4317757255 creator A5029124856 @default.
• W4317757255 creator A5033633287 @default.
• W4317757255 creator A5082528498 @default.
• W4317757255 date "2023-01-23" @default.
• W4317757255 modified "2023-10-18" @default.
• W4317757255 title "High-Level Coupled-Cluster Study on Substituent Effects in H₂ Activation by Low-Valent Aluminyl Anions" @default.
• W4317757255 cites W1925589081 @default.
• W4317757255 cites W1974541970 @default.
• W4317757255 cites W1978536813 @default.
• W4317757255 cites W1979060024 @default.
• W4317757255 cites W1984768735 @default.
• W4317757255 cites W1989474096 @default.
• W4317757255 cites W1992024123 @default.
• W4317757255 cites W1994917514 @default.
• W4317757255 cites W2002782616 @default.
• W4317757255 cites W2003766833 @default.
• W4317757255 cites W2008489596 @default.
• W4317757255 cites W2026586009 @default.
• W4317757255 cites W2048096728 @default.
• W4317757255 cites W2049692419 @default.
• W4317757255 cites W2055977895 @default.
• W4317757255 cites W2065123209 @default.
• W4317757255 cites W2068358349 @default.
• W4317757255 cites W2069006374 @default.
• W4317757255 cites W2075109239 @default.
• W4317757255 cites W2093947989 @default.
• W4317757255 cites W2097595210 @default.
• W4317757255 cites W2141154798 @default.
• W4317757255 cites W2155300299 @default.
• W4317757255 cites W2180728762 @default.
• W4317757255 cites W2281586043 @default.
• W4317757255 cites W2797749276 @default.
• W4317757255 cites W2910766786 @default.
• W4317757255 cites W2955342938 @default.
• W4317757255 cites W2991180484 @default.
• W4317757255 cites W2996047210 @default.
• W4317757255 cites W3018520280 @default.
• W4317757255 cites W3137168143 @default.
• W4317757255 cites W3193854877 @default.
• W4317757255 cites W3194663249 @default.
• W4317757255 cites W3201292144 @default.
• W4317757255 cites W3204591831 @default.
• W4317757255 cites W3215244268 @default.
• W4317757255 cites W3215351261 @default.
• W4317757255 cites W4205608416 @default.
• W4317757255 cites W4212768075 @default.
• W4317757255 cites W4213189865 @default.
• W4317757255 cites W4233254658 @default.
• W4317757255 cites W4236211512 @default.
• W4317757255 cites W4240349226 @default.
• W4317757255 cites W4252617931 @default.
• W4317757255 cites W4282928906 @default.
• W4317757255 cites W4282935555 @default.
• W4317757255 cites W4301181159 @default.
• W4317757255 cites W4301401139 @default.
• W4317757255 cites W4312093778 @default.
• W4317757255 cites W4375905788 @default.
• W4317757255 doi "https://doi.org/10.1021/acs.jpca.2c08403" @default.
• W4317757255 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/36689320" @default.
• W4317757255 hasPublicationYear "2023" @default.
• W4317757255 type Work @default.
• W4317757255 citedByCount "2" @default.
• W4317757255 countsByYear W43177572552023 @default.
• W4317757255 crossrefType "journal-article" @default.
• W4317757255 hasAuthorship W4317757255A5008289548 @default.
• W4317757255 hasAuthorship W4317757255A5029124856 @default.
• W4317757255 hasAuthorship W4317757255A5033633287 @default.
• W4317757255 hasAuthorship W4317757255A5082528498 @default.
• W4317757255 hasConcept C115624301 @default.
• W4317757255 hasConcept C116569031 @default.
• W4317757255 hasConcept C134121241 @default.
• W4317757255 hasConcept C142724271 @default.
• W4317757255 hasConcept C147597530 @default.
• W4317757255 hasConcept C164866538 @default.
• W4317757255 hasConcept C170493617 @default.
• W4317757255 hasConcept C178516000 @default.
• W4317757255 hasConcept C178790620 @default.
• W4317757255 hasConcept C185592680 @default.
• W4317757255 hasConcept C191897082 @default.
• W4317757255 hasConcept C192562407 @default.
• W4317757255 hasConcept C19637589 @default.
• W4317757255 hasConcept C197404232 @default.
• W4317757255 hasConcept C199360897 @default.
• W4317757255 hasConcept C201194858 @default.
• W4317757255 hasConcept C204787440 @default.
• W4317757255 hasConcept C21951064 @default.
• W4317757255 hasConcept C2776910235 @default.
• W4317757255 hasConcept C2778689049 @default.
• W4317757255 hasConcept C32909587 @default.
• W4317757255 hasConcept C41008148 @default.
• W4317757255 hasConcept C55493867 @default.
• W4317757255 hasConcept C71240020 @default.
• W4317757255 hasConcept C71924100 @default.
• W4317757255 hasConcept C8010536 @default.
• W4317757255 hasConceptScore W4317757255C115624301 @default.

• next