Matches in SemOpenAlex for { <https://semopenalex.org/work/W1990972471> ?p ?o ?g. }
- W1990972471 endingPage "407" @default.
- W1990972471 startingPage "405" @default.
- W1990972471 abstract "The distortion of model XMH4d6 complexes (X-equatorial ligand) away from their unstable trigonal bipyramidal (TBP) structure is studied by means of Extended Hückel calculations. The distortion is represented by the angle α between the two equatorial MH bonds (α = 120° in the TBP geometry). Departure from α = 120° leads to two minima, one for α = 180° (square pyramid geometry) and one for α = 70°, the origin of both being traced to a first order Jahn—Teller effect and not to a favourable ligand—ligand interaction (α = 70°). The relative energies of these two minima are strongly dependent on the nature of the equatorial ligand X opposite to the α angle. In particular it is shown that a π donor X ligand favours α = 70° while a π acceptor favours α = 180°. Finally a third minima is found for α = 30°. In this case, there is a strong interaction between the equatorial hydrides and this structure is better viewed as a d8 square planar complex with a molecular H2 ligand side-bonded to the metal." @default.
- W1990972471 created "2016-06-24" @default.
- W1990972471 creator A5005296357 @default.
- W1990972471 creator A5080876633 @default.
- W1990972471 date "1988-01-01" @default.
- W1990972471 modified "2023-10-03" @default.
- W1990972471 title "Ligand dependent nature of three possible shapes for a d6 pentacoordinated complex" @default.
- W1990972471 cites W1975346636 @default.
- W1990972471 cites W1977955686 @default.
- W1990972471 cites W1979454685 @default.
- W1990972471 cites W1999732239 @default.
- W1990972471 cites W2024953018 @default.
- W1990972471 cites W2060572918 @default.
- W1990972471 cites W2070589650 @default.
- W1990972471 cites W2100928981 @default.
- W1990972471 cites W2210702171 @default.
- W1990972471 cites W2604756279 @default.
- W1990972471 cites W2949736998 @default.
- W1990972471 cites W2951321505 @default.
- W1990972471 doi "https://doi.org/10.1016/s0277-5387(00)80491-x" @default.
- W1990972471 hasPublicationYear "1988" @default.
- W1990972471 type Work @default.
- W1990972471 sameAs 1990972471 @default.
- W1990972471 citedByCount "23" @default.
- W1990972471 countsByYear W19909724712014 @default.
- W1990972471 countsByYear W19909724712015 @default.
- W1990972471 countsByYear W19909724712016 @default.
- W1990972471 countsByYear W19909724712018 @default.
- W1990972471 countsByYear W19909724712021 @default.
- W1990972471 countsByYear W19909724712022 @default.
- W1990972471 crossrefType "journal-article" @default.
- W1990972471 hasAuthorship W1990972471A5005296357 @default.
- W1990972471 hasAuthorship W1990972471A5080876633 @default.
- W1990972471 hasConcept C111592845 @default.
- W1990972471 hasConcept C115624301 @default.
- W1990972471 hasConcept C116569031 @default.
- W1990972471 hasConcept C121332964 @default.
- W1990972471 hasConcept C121684516 @default.
- W1990972471 hasConcept C126780896 @default.
- W1990972471 hasConcept C134306372 @default.
- W1990972471 hasConcept C134786449 @default.
- W1990972471 hasConcept C135692309 @default.
- W1990972471 hasConcept C142575187 @default.
- W1990972471 hasConcept C147597530 @default.
- W1990972471 hasConcept C159467904 @default.
- W1990972471 hasConcept C170493617 @default.
- W1990972471 hasConcept C185592680 @default.
- W1990972471 hasConcept C186633575 @default.
- W1990972471 hasConcept C194257627 @default.
- W1990972471 hasConcept C200119971 @default.
- W1990972471 hasConcept C2524010 @default.
- W1990972471 hasConcept C26873012 @default.
- W1990972471 hasConcept C2779892579 @default.
- W1990972471 hasConcept C33923547 @default.
- W1990972471 hasConcept C41008148 @default.
- W1990972471 hasConcept C46362747 @default.
- W1990972471 hasConcept C49040817 @default.
- W1990972471 hasConcept C55493867 @default.
- W1990972471 hasConcept C71240020 @default.
- W1990972471 hasConcept C8010536 @default.
- W1990972471 hasConceptScore W1990972471C111592845 @default.
- W1990972471 hasConceptScore W1990972471C115624301 @default.
- W1990972471 hasConceptScore W1990972471C116569031 @default.
- W1990972471 hasConceptScore W1990972471C121332964 @default.
- W1990972471 hasConceptScore W1990972471C121684516 @default.
- W1990972471 hasConceptScore W1990972471C126780896 @default.
- W1990972471 hasConceptScore W1990972471C134306372 @default.
- W1990972471 hasConceptScore W1990972471C134786449 @default.
- W1990972471 hasConceptScore W1990972471C135692309 @default.
- W1990972471 hasConceptScore W1990972471C142575187 @default.
- W1990972471 hasConceptScore W1990972471C147597530 @default.
- W1990972471 hasConceptScore W1990972471C159467904 @default.
- W1990972471 hasConceptScore W1990972471C170493617 @default.
- W1990972471 hasConceptScore W1990972471C185592680 @default.
- W1990972471 hasConceptScore W1990972471C186633575 @default.
- W1990972471 hasConceptScore W1990972471C194257627 @default.
- W1990972471 hasConceptScore W1990972471C200119971 @default.
- W1990972471 hasConceptScore W1990972471C2524010 @default.
- W1990972471 hasConceptScore W1990972471C26873012 @default.
- W1990972471 hasConceptScore W1990972471C2779892579 @default.
- W1990972471 hasConceptScore W1990972471C33923547 @default.
- W1990972471 hasConceptScore W1990972471C41008148 @default.
- W1990972471 hasConceptScore W1990972471C46362747 @default.
- W1990972471 hasConceptScore W1990972471C49040817 @default.
- W1990972471 hasConceptScore W1990972471C55493867 @default.
- W1990972471 hasConceptScore W1990972471C71240020 @default.
- W1990972471 hasConceptScore W1990972471C8010536 @default.
- W1990972471 hasIssue "5" @default.
- W1990972471 hasLocation W19909724711 @default.
- W1990972471 hasOpenAccess W1990972471 @default.
- W1990972471 hasPrimaryLocation W19909724711 @default.
- W1990972471 hasRelatedWork W1990972471 @default.
- W1990972471 hasRelatedWork W1998313875 @default.
- W1990972471 hasRelatedWork W2008468204 @default.
- W1990972471 hasRelatedWork W2011771056 @default.
- W1990972471 hasRelatedWork W2025947850 @default.
- W1990972471 hasRelatedWork W2030615962 @default.
- W1990972471 hasRelatedWork W2062279783 @default.