Matches in SemOpenAlex for { <https://semopenalex.org/work/W1987777444> ?p ?o ?g. }
- W1987777444 endingPage "3288" @default.
- W1987777444 startingPage "3285" @default.
- W1987777444 abstract "The results of Fenske−Hall molecular orbital calculations are reported for the trigonal prismatic complexes Mo(S2C2H2)3 and Mo(S2C6H4)3. Both complexes exhibit a bend of the S−C−C−S ligand plane away from the S−Mo−S plane. A series of calculations which systematically follow the changes in electronic structure as the bend angle α is varied between 0 and 30° indicates that the bend can be attributed to a second order Jahn−Teller distortion. The driving force for this distortion, which allows mixing between a set of ligand π orbitals and the metal dz2 orbital, should be greatest for d0 systems. In these systems the bent geometry leads to the stabilization of the doubly occupied HOMO. The driving force for ligand bending should be lower in systems having more or fewer electrons (e.g. Re(S2C2Ph2)3 or V(S2C2Ph2)3, respectively). While the steric bulk of the dithiolate ligands in the latter complexes may also influence the degree of ligand bending, this is probably a secondary effect." @default.
- W1987777444 created "2016-06-24" @default.
- W1987777444 creator A5003617821 @default.
- W1987777444 creator A5067481800 @default.
- W1987777444 date "1996-01-01" @default.
- W1987777444 modified "2023-10-15" @default.
- W1987777444 title "New Explanation for Ligand Bending in Transition Metal Tris(dithiolate) Complexes" @default.
- W1987777444 cites W1582010653 @default.
- W1987777444 cites W1650728208 @default.
- W1987777444 cites W1977893079 @default.
- W1987777444 cites W1991778870 @default.
- W1987777444 cites W2009202316 @default.
- W1987777444 cites W2018425842 @default.
- W1987777444 cites W2037033431 @default.
- W1987777444 cites W2044218845 @default.
- W1987777444 cites W2057459010 @default.
- W1987777444 cites W2329077548 @default.
- W1987777444 cites W2334036400 @default.
- W1987777444 cites W2952027434 @default.
- W1987777444 cites W2952190752 @default.
- W1987777444 cites W4244498511 @default.
- W1987777444 doi "https://doi.org/10.1021/ic9513907" @default.
- W1987777444 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/11666530" @default.
- W1987777444 hasPublicationYear "1996" @default.
- W1987777444 type Work @default.
- W1987777444 sameAs 1987777444 @default.
- W1987777444 citedByCount "34" @default.
- W1987777444 countsByYear W19877774442013 @default.
- W1987777444 countsByYear W19877774442014 @default.
- W1987777444 countsByYear W19877774442016 @default.
- W1987777444 countsByYear W19877774442020 @default.
- W1987777444 countsByYear W19877774442023 @default.
- W1987777444 crossrefType "journal-article" @default.
- W1987777444 hasAuthorship W1987777444A5003617821 @default.
- W1987777444 hasAuthorship W1987777444A5067481800 @default.
- W1987777444 hasConcept C106773901 @default.
- W1987777444 hasConcept C115624301 @default.
- W1987777444 hasConcept C116569031 @default.
- W1987777444 hasConcept C121332964 @default.
- W1987777444 hasConcept C126780896 @default.
- W1987777444 hasConcept C138211643 @default.
- W1987777444 hasConcept C139358910 @default.
- W1987777444 hasConcept C147120987 @default.
- W1987777444 hasConcept C161790260 @default.
- W1987777444 hasConcept C170493617 @default.
- W1987777444 hasConcept C178790620 @default.
- W1987777444 hasConcept C185592680 @default.
- W1987777444 hasConcept C189394030 @default.
- W1987777444 hasConcept C194257627 @default.
- W1987777444 hasConcept C198819137 @default.
- W1987777444 hasConcept C201194858 @default.
- W1987777444 hasConcept C32909587 @default.
- W1987777444 hasConcept C46362747 @default.
- W1987777444 hasConcept C49040817 @default.
- W1987777444 hasConcept C55493867 @default.
- W1987777444 hasConcept C61126556 @default.
- W1987777444 hasConcept C62520636 @default.
- W1987777444 hasConcept C71240020 @default.
- W1987777444 hasConcept C8010536 @default.
- W1987777444 hasConcept C87210426 @default.
- W1987777444 hasConcept C97355855 @default.
- W1987777444 hasConceptScore W1987777444C106773901 @default.
- W1987777444 hasConceptScore W1987777444C115624301 @default.
- W1987777444 hasConceptScore W1987777444C116569031 @default.
- W1987777444 hasConceptScore W1987777444C121332964 @default.
- W1987777444 hasConceptScore W1987777444C126780896 @default.
- W1987777444 hasConceptScore W1987777444C138211643 @default.
- W1987777444 hasConceptScore W1987777444C139358910 @default.
- W1987777444 hasConceptScore W1987777444C147120987 @default.
- W1987777444 hasConceptScore W1987777444C161790260 @default.
- W1987777444 hasConceptScore W1987777444C170493617 @default.
- W1987777444 hasConceptScore W1987777444C178790620 @default.
- W1987777444 hasConceptScore W1987777444C185592680 @default.
- W1987777444 hasConceptScore W1987777444C189394030 @default.
- W1987777444 hasConceptScore W1987777444C194257627 @default.
- W1987777444 hasConceptScore W1987777444C198819137 @default.
- W1987777444 hasConceptScore W1987777444C201194858 @default.
- W1987777444 hasConceptScore W1987777444C32909587 @default.
- W1987777444 hasConceptScore W1987777444C46362747 @default.
- W1987777444 hasConceptScore W1987777444C49040817 @default.
- W1987777444 hasConceptScore W1987777444C55493867 @default.
- W1987777444 hasConceptScore W1987777444C61126556 @default.
- W1987777444 hasConceptScore W1987777444C62520636 @default.
- W1987777444 hasConceptScore W1987777444C71240020 @default.
- W1987777444 hasConceptScore W1987777444C8010536 @default.
- W1987777444 hasConceptScore W1987777444C87210426 @default.
- W1987777444 hasConceptScore W1987777444C97355855 @default.
- W1987777444 hasIssue "11" @default.
- W1987777444 hasLocation W19877774441 @default.
- W1987777444 hasLocation W19877774442 @default.
- W1987777444 hasOpenAccess W1987777444 @default.
- W1987777444 hasPrimaryLocation W19877774441 @default.
- W1987777444 hasRelatedWork W1965238818 @default.
- W1987777444 hasRelatedWork W1968899056 @default.
- W1987777444 hasRelatedWork W1970907509 @default.
- W1987777444 hasRelatedWork W1977479512 @default.
- W1987777444 hasRelatedWork W1982465985 @default.
- W1987777444 hasRelatedWork W2039274707 @default.