Dialkyl and Methyl-Alkyl Zirconocenes: Synthesis and Characterization of Zirconocene-Alkyls That Model the Polymeryl Chain in Alkene Polymerizations
(2007) In Organometallics 26(12). p.3018-3030- Abstract
- Zirconocene precatalysts with sterically bulky alkyl groups were designed as model systems for the propagating species in zirconocene-catalyzed alkene polymerization. Specialty alkyllithium reagents Li(CH2CEt3) and Li(CH2CMe2CH2Ph) were prepared and utilized in the synthesis of dialkyl and methyl-alkyl zirconocenes of the form CpCp*ZrR2, Cp2Zr(CH3)(R), and CpCp*Zr(CH3)(R) (Cp = (5-C5H5); Cp* = (5-C5Me5); R = CH2CMe3, CH2SiMe3, CH2CEt3, CH2CMe2CH2Ph). These new zirconocene alkyls were isolated and fully characterized by NMR spectroscopy and in some cases by X-ray diffraction. The molecular structures determined display the bent-sandwich coordination mode common for zirconocenes. The steric influence of the alkyl group on the observed... (More)
- Zirconocene precatalysts with sterically bulky alkyl groups were designed as model systems for the propagating species in zirconocene-catalyzed alkene polymerization. Specialty alkyllithium reagents Li(CH2CEt3) and Li(CH2CMe2CH2Ph) were prepared and utilized in the synthesis of dialkyl and methyl-alkyl zirconocenes of the form CpCp*ZrR2, Cp2Zr(CH3)(R), and CpCp*Zr(CH3)(R) (Cp = (5-C5H5); Cp* = (5-C5Me5); R = CH2CMe3, CH2SiMe3, CH2CEt3, CH2CMe2CH2Ph). These new zirconocene alkyls were isolated and fully characterized by NMR spectroscopy and in some cases by X-ray diffraction. The molecular structures determined display the bent-sandwich coordination mode common for zirconocenes. The steric influence of the alkyl group on the observed structural parameters is reflected in slightly expanded C-Zr-C or C-Zr-Cl angles in the equatorial plane and long zirconium-alkyl bond distances. (Less)
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https://lup.lub.lu.se/record/947117
- author
- Klamo, Sara B ; Wendt, Ola LU ; Henling, Larry M ; Day, Michael W. and Bercaw, John E
- organization
- publishing date
- 2007
- type
- Contribution to journal
- publication status
- published
- subject
- in
- Organometallics
- volume
- 26
- issue
- 12
- pages
- 3018 - 3030
- publisher
- The American Chemical Society (ACS)
- external identifiers
-
- scopus:34250766055
- ISSN
- 1520-6041
- DOI
- 10.1021/om0601302
- language
- English
- LU publication?
- yes
- additional info
- The information about affiliations in this record was updated in December 2015. The record was previously connected to the following departments: Organic chemistry (S/LTH) (011001240)
- id
- 97f46865-5d7b-460e-a8e2-44503682af85 (old id 947117)
- date added to LUP
- 2016-04-01 11:58:17
- date last changed
- 2022-04-21 00:30:55
@article{97f46865-5d7b-460e-a8e2-44503682af85, abstract = {{Zirconocene precatalysts with sterically bulky alkyl groups were designed as model systems for the propagating species in zirconocene-catalyzed alkene polymerization. Specialty alkyllithium reagents Li(CH2CEt3) and Li(CH2CMe2CH2Ph) were prepared and utilized in the synthesis of dialkyl and methyl-alkyl zirconocenes of the form CpCp*ZrR2, Cp2Zr(CH3)(R), and CpCp*Zr(CH3)(R) (Cp = (5-C5H5); Cp* = (5-C5Me5); R = CH2CMe3, CH2SiMe3, CH2CEt3, CH2CMe2CH2Ph). These new zirconocene alkyls were isolated and fully characterized by NMR spectroscopy and in some cases by X-ray diffraction. The molecular structures determined display the bent-sandwich coordination mode common for zirconocenes. The steric influence of the alkyl group on the observed structural parameters is reflected in slightly expanded C-Zr-C or C-Zr-Cl angles in the equatorial plane and long zirconium-alkyl bond distances.}}, author = {{Klamo, Sara B and Wendt, Ola and Henling, Larry M and Day, Michael W. and Bercaw, John E}}, issn = {{1520-6041}}, language = {{eng}}, number = {{12}}, pages = {{3018--3030}}, publisher = {{The American Chemical Society (ACS)}}, series = {{Organometallics}}, title = {{Dialkyl and Methyl-Alkyl Zirconocenes: Synthesis and Characterization of Zirconocene-Alkyls That Model the Polymeryl Chain in Alkene Polymerizations}}, url = {{http://dx.doi.org/10.1021/om0601302}}, doi = {{10.1021/om0601302}}, volume = {{26}}, year = {{2007}}, }