Matches in SemOpenAlex for { <https://semopenalex.org/work/W2051068599> ?p ?o ?g. }
- W2051068599 endingPage "3171" @default.
- W2051068599 startingPage "3163" @default.
- W2051068599 abstract "The reactions of the 16-electron cycloheptatrienyl−cyclopentadienyl−zirconium sandwich complex [(η7-C7H7)Zr(η5-C5H5)] (1) with tert-butyl isocyanide (tBuNC) and 2,6-dimethylphenyl isocyanide (o-XyNC) have been studied. The isocyanide complexes [(η7-C7H7)(η5-C5H5)Zr(CNR)] (R = tBu, 2a; R = o-Xy, 2b) can be isolated in quantitative yield as stable orange (2a) or red (2b) crystalline solids. The CN stretching vibrations are observed at 2156 (2a) and 2134 cm-1 (2b) in KBr, indicating a relatively weak zirconium−isocyanide interaction. Solution NMR studies consequently reveal that the isocyanides quickly exchange on the NMR time scale at room temperature. The equilibrium reaction of 1 with tBuNC has been examined in further detail by dynamic NMR spectroscopy, allowing an enthalpy for the formation of 2a of ΔH° = −39.6 ± 6.6 kJ mol-1 to be established. DFT calculations reveal that the weakness of the zirconium−isocyanide bonds in 2a and 2b can be attributed to the strong and appreciably covalent zirconium−cycloheptatrienyl interaction, leading to highly stabilized frontier orbitals and consequently to a diminishing π-electron release capability and a small propensity to efficiently interact with σ-donor/π-acceptor ligands. The X-ray crystal structures of 1 and 2a are also reported." @default.
- W2051068599 created "2016-06-24" @default.
- W2051068599 creator A5020799683 @default.
- W2051068599 creator A5029172893 @default.
- W2051068599 creator A5036558577 @default.
- W2051068599 creator A5056881592 @default.
- W2051068599 creator A5085320881 @default.
- W2051068599 date "2005-05-18" @default.
- W2051068599 modified "2023-10-10" @default.
- W2051068599 title "Cycloheptatrienyl−Cyclopentadienyl−Zirconium Sandwich Complexes: Structure and Bonding" @default.
- W2051068599 cites W1539796472 @default.
- W2051068599 cites W1541605738 @default.
- W2051068599 cites W1966265084 @default.
- W2051068599 cites W1969046967 @default.
- W2051068599 cites W1975284298 @default.
- W2051068599 cites W1979931436 @default.
- W2051068599 cites W1980396771 @default.
- W2051068599 cites W1982905730 @default.
- W2051068599 cites W1984614201 @default.
- W2051068599 cites W1985429799 @default.
- W2051068599 cites W1988864231 @default.
- W2051068599 cites W1990411226 @default.
- W2051068599 cites W1991377314 @default.
- W2051068599 cites W1993892023 @default.
- W2051068599 cites W1999111015 @default.
- W2051068599 cites W1999191116 @default.
- W2051068599 cites W2003657001 @default.
- W2051068599 cites W2003774307 @default.
- W2051068599 cites W2003791729 @default.
- W2051068599 cites W2017794085 @default.
- W2051068599 cites W2021080118 @default.
- W2051068599 cites W2023271753 @default.
- W2051068599 cites W2026720554 @default.
- W2051068599 cites W2027475027 @default.
- W2051068599 cites W2027972969 @default.
- W2051068599 cites W2029153809 @default.
- W2051068599 cites W2033254662 @default.
- W2051068599 cites W2037682587 @default.
- W2051068599 cites W2039123341 @default.
- W2051068599 cites W2055732922 @default.
- W2051068599 cites W2059314976 @default.
- W2051068599 cites W2060180837 @default.
- W2051068599 cites W2060277356 @default.
- W2051068599 cites W2062430220 @default.
- W2051068599 cites W2063965237 @default.
- W2051068599 cites W2067066580 @default.
- W2051068599 cites W2069816548 @default.
- W2051068599 cites W2072163137 @default.
- W2051068599 cites W2072436946 @default.
- W2051068599 cites W2075404973 @default.
- W2051068599 cites W2076373414 @default.
- W2051068599 cites W2078112455 @default.
- W2051068599 cites W2078326425 @default.
- W2051068599 cites W2081978187 @default.
- W2051068599 cites W2093544656 @default.
- W2051068599 cites W2133071321 @default.
- W2051068599 cites W2143981217 @default.
- W2051068599 cites W2153780144 @default.
- W2051068599 cites W2169655803 @default.
- W2051068599 cites W2321972685 @default.
- W2051068599 cites W2950230733 @default.
- W2051068599 cites W2952097536 @default.
- W2051068599 cites W397530494 @default.
- W2051068599 cites W4239856299 @default.
- W2051068599 cites W2061752126 @default.
- W2051068599 doi "https://doi.org/10.1021/om050192c" @default.
- W2051068599 hasPublicationYear "2005" @default.
- W2051068599 type Work @default.
- W2051068599 sameAs 2051068599 @default.
- W2051068599 citedByCount "49" @default.
- W2051068599 countsByYear W20510685992012 @default.
- W2051068599 countsByYear W20510685992013 @default.
- W2051068599 countsByYear W20510685992015 @default.
- W2051068599 countsByYear W20510685992017 @default.
- W2051068599 countsByYear W20510685992018 @default.
- W2051068599 countsByYear W20510685992019 @default.
- W2051068599 countsByYear W20510685992021 @default.
- W2051068599 countsByYear W20510685992022 @default.
- W2051068599 crossrefType "journal-article" @default.
- W2051068599 hasAuthorship W2051068599A5020799683 @default.
- W2051068599 hasAuthorship W2051068599A5029172893 @default.
- W2051068599 hasAuthorship W2051068599A5036558577 @default.
- W2051068599 hasAuthorship W2051068599A5056881592 @default.
- W2051068599 hasAuthorship W2051068599A5085320881 @default.
- W2051068599 hasConcept C161790260 @default.
- W2051068599 hasConcept C178790620 @default.
- W2051068599 hasConcept C179104552 @default.
- W2051068599 hasConcept C180577832 @default.
- W2051068599 hasConcept C181458950 @default.
- W2051068599 hasConcept C185592680 @default.
- W2051068599 hasConcept C2777010268 @default.
- W2051068599 hasConcept C534791751 @default.
- W2051068599 hasConcept C66974803 @default.
- W2051068599 hasConcept C71240020 @default.
- W2051068599 hasConcept C8010536 @default.
- W2051068599 hasConceptScore W2051068599C161790260 @default.
- W2051068599 hasConceptScore W2051068599C178790620 @default.
- W2051068599 hasConceptScore W2051068599C179104552 @default.