Matches in SemOpenAlex for { <https://semopenalex.org/work/W2017837009> ?p ?o ?g. }
- W2017837009 endingPage "42" @default.
- W2017837009 startingPage "35" @default.
- W2017837009 abstract "The ligand bis(1-methyl-2-imidazolyl)glyoxal (big) was studied by DFT with respect to energy minimum conformations in the neutral, cation and anion radical states. Coordination alternatives involving chelate rings of different size were calculated for the partly experimentally accessible mononuclear complexes of big with [AuCl2]+, [Rh(C5R5)Cl]+ and Re(CO)3Cl. Comparative DFT calculations of various coordination modes for mononuclear, homodinuclear and heterodinuclear complexes of the potentially tetradentate big ligand reveal a preference for seven-membered chelate rings in the mononuclear species and for edge-sharing six-membered chelate rings with anti configuration of the metal-chloride bonds for the dinuclear systems, supporting the experimental evidence obtained through spectroscopic and electrochemical studies of {(μ-big)[Re(CO)3Cl]2}." @default.
- W2017837009 created "2016-06-24" @default.
- W2017837009 creator A5006439573 @default.
- W2017837009 creator A5020043051 @default.
- W2017837009 creator A5064460918 @default.
- W2017837009 creator A5085086093 @default.
- W2017837009 date "2006-10-01" @default.
- W2017837009 modified "2023-09-23" @default.
- W2017837009 title "A DFT based assessment of coordination modes of the bis(1-methyl-2-imidazolyl)glyoxal ligand in mononuclear and dinuclear complexes" @default.
- W2017837009 cites W163730863 @default.
- W2017837009 cites W1968197150 @default.
- W2017837009 cites W1978562038 @default.
- W2017837009 cites W1989906928 @default.
- W2017837009 cites W1989989909 @default.
- W2017837009 cites W1994324789 @default.
- W2017837009 cites W1996400040 @default.
- W2017837009 cites W2011573325 @default.
- W2017837009 cites W2026893710 @default.
- W2017837009 cites W2032113801 @default.
- W2017837009 cites W2034979752 @default.
- W2017837009 cites W2040004068 @default.
- W2017837009 cites W2042787419 @default.
- W2017837009 cites W2046538106 @default.
- W2017837009 cites W2048743176 @default.
- W2017837009 cites W2049348441 @default.
- W2017837009 cites W2050771666 @default.
- W2017837009 cites W2052108541 @default.
- W2017837009 cites W2052579569 @default.
- W2017837009 cites W2053446518 @default.
- W2017837009 cites W2057674094 @default.
- W2017837009 cites W2059165587 @default.
- W2017837009 cites W2068279614 @default.
- W2017837009 cites W2071733203 @default.
- W2017837009 cites W2075687993 @default.
- W2017837009 cites W2078734814 @default.
- W2017837009 cites W2079290691 @default.
- W2017837009 cites W2080133523 @default.
- W2017837009 cites W2083993046 @default.
- W2017837009 cites W2089854364 @default.
- W2017837009 cites W2090837639 @default.
- W2017837009 cites W2091650229 @default.
- W2017837009 cites W2094536561 @default.
- W2017837009 cites W2101175904 @default.
- W2017837009 cites W2107250741 @default.
- W2017837009 cites W2141620060 @default.
- W2017837009 cites W2152823081 @default.
- W2017837009 cites W2159036832 @default.
- W2017837009 cites W2160631879 @default.
- W2017837009 cites W2166870569 @default.
- W2017837009 cites W4231235140 @default.
- W2017837009 cites W4247478930 @default.
- W2017837009 doi "https://doi.org/10.1016/j.theochem.2006.06.039" @default.
- W2017837009 hasPublicationYear "2006" @default.
- W2017837009 type Work @default.
- W2017837009 sameAs 2017837009 @default.
- W2017837009 citedByCount "5" @default.
- W2017837009 countsByYear W20178370092013 @default.
- W2017837009 crossrefType "journal-article" @default.
- W2017837009 hasAuthorship W2017837009A5006439573 @default.
- W2017837009 hasAuthorship W2017837009A5020043051 @default.
- W2017837009 hasAuthorship W2017837009A5064460918 @default.
- W2017837009 hasAuthorship W2017837009A5085086093 @default.
- W2017837009 hasConcept C116569031 @default.
- W2017837009 hasConcept C145148216 @default.
- W2017837009 hasConcept C155647269 @default.
- W2017837009 hasConcept C170493617 @default.
- W2017837009 hasConcept C178790620 @default.
- W2017837009 hasConcept C185592680 @default.
- W2017837009 hasConcept C197404232 @default.
- W2017837009 hasConcept C2777603720 @default.
- W2017837009 hasConcept C2778695967 @default.
- W2017837009 hasConcept C55493867 @default.
- W2017837009 hasConcept C71240020 @default.
- W2017837009 hasConcept C8010536 @default.
- W2017837009 hasConceptScore W2017837009C116569031 @default.
- W2017837009 hasConceptScore W2017837009C145148216 @default.
- W2017837009 hasConceptScore W2017837009C155647269 @default.
- W2017837009 hasConceptScore W2017837009C170493617 @default.
- W2017837009 hasConceptScore W2017837009C178790620 @default.
- W2017837009 hasConceptScore W2017837009C185592680 @default.
- W2017837009 hasConceptScore W2017837009C197404232 @default.
- W2017837009 hasConceptScore W2017837009C2777603720 @default.
- W2017837009 hasConceptScore W2017837009C2778695967 @default.
- W2017837009 hasConceptScore W2017837009C55493867 @default.
- W2017837009 hasConceptScore W2017837009C71240020 @default.
- W2017837009 hasConceptScore W2017837009C8010536 @default.
- W2017837009 hasIssue "1-3" @default.
- W2017837009 hasLocation W20178370091 @default.
- W2017837009 hasOpenAccess W2017837009 @default.
- W2017837009 hasPrimaryLocation W20178370091 @default.
- W2017837009 hasRelatedWork W1964253971 @default.
- W2017837009 hasRelatedWork W2078713449 @default.
- W2017837009 hasRelatedWork W2090490335 @default.
- W2017837009 hasRelatedWork W2128544464 @default.
- W2017837009 hasRelatedWork W2166446933 @default.
- W2017837009 hasRelatedWork W2313979199 @default.
- W2017837009 hasRelatedWork W2333890914 @default.
- W2017837009 hasRelatedWork W2344844467 @default.