Cp[Tm Me]ZrCl 2, a tris(2-mercapto-1-methylimidazolyl) hydroborato complex of zirconium and a new type of precatalyst for olefin polymerization

Daniela Buccella, Abraham Shultz, Jonathan G. Melnick, Felicia Konopka, Gerard Parkin

Research output: Contribution to journalArticle

Abstract

Cp[Tm Me]ZrCl 2, the first tris(2-mercapto-1- methylimidazolyl)hydroborato complex of zirconium, is obtained by reaction of CpZrCl 3 with [Tm Me]K. The molecular structure of Cp[Tm Me]ZrCl 2 has been determined by X-ray diffraction, and the geometry closely resembles the bent-metallocene motif of Cp 2ZrCl 2. An important distinction, however, is that Cp[Tm Me]-ZrCl 2 is chiral, with C 1 symmetry. The chirality of Cp[Tm Me]-ZrCl 2 is a consequence of the fact that the [Tm Me] ligand exhibits a propeller-like twist such that it has local C 3 symmetry and is therefore devoid of a mirror plane. Variable-temperature 1H NMR studies demonstrate that enantiomer interconversion does not occur on the NMR time scale. In combination with methylalumoxane, Cp[Tm Me]ZrCl 2 produces an active catalyst for ethylene polymerization.

Original languageEnglish (US)
Pages (from-to)5496-5499
Number of pages4
JournalOrganometallics
Volume25
Issue number22
DOIs
StatePublished - Oct 23 2006

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Alkenes
alkenes
polymerization
Polymerization
Nuclear magnetic resonance
nuclear magnetic resonance
propellers
Enantiomers
Chirality
enantiomers
symmetry
Propellers
chirality
Molecular structure
Mirrors
ethylene
molecular structure
mirrors
Ligands
catalysts

ASJC Scopus subject areas

  • Inorganic Chemistry
  • Organic Chemistry

Cite this

Cp[Tm Me]ZrCl 2, a tris(2-mercapto-1-methylimidazolyl) hydroborato complex of zirconium and a new type of precatalyst for olefin polymerization. / Buccella, Daniela; Shultz, Abraham; Melnick, Jonathan G.; Konopka, Felicia; Parkin, Gerard.

In: Organometallics, Vol. 25, No. 22, 23.10.2006, p. 5496-5499.

Research output: Contribution to journalArticle

Buccella, Daniela ; Shultz, Abraham ; Melnick, Jonathan G. ; Konopka, Felicia ; Parkin, Gerard. / Cp[Tm Me]ZrCl 2, a tris(2-mercapto-1-methylimidazolyl) hydroborato complex of zirconium and a new type of precatalyst for olefin polymerization. In: Organometallics. 2006 ; Vol. 25, No. 22. pp. 5496-5499.
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AU - Konopka, Felicia

AU - Parkin, Gerard

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N2 - Cp[Tm Me]ZrCl 2, the first tris(2-mercapto-1- methylimidazolyl)hydroborato complex of zirconium, is obtained by reaction of CpZrCl 3 with [Tm Me]K. The molecular structure of Cp[Tm Me]ZrCl 2 has been determined by X-ray diffraction, and the geometry closely resembles the bent-metallocene motif of Cp 2ZrCl 2. An important distinction, however, is that Cp[Tm Me]-ZrCl 2 is chiral, with C 1 symmetry. The chirality of Cp[Tm Me]-ZrCl 2 is a consequence of the fact that the [Tm Me] ligand exhibits a propeller-like twist such that it has local C 3 symmetry and is therefore devoid of a mirror plane. Variable-temperature 1H NMR studies demonstrate that enantiomer interconversion does not occur on the NMR time scale. In combination with methylalumoxane, Cp[Tm Me]ZrCl 2 produces an active catalyst for ethylene polymerization.

AB - Cp[Tm Me]ZrCl 2, the first tris(2-mercapto-1- methylimidazolyl)hydroborato complex of zirconium, is obtained by reaction of CpZrCl 3 with [Tm Me]K. The molecular structure of Cp[Tm Me]ZrCl 2 has been determined by X-ray diffraction, and the geometry closely resembles the bent-metallocene motif of Cp 2ZrCl 2. An important distinction, however, is that Cp[Tm Me]-ZrCl 2 is chiral, with C 1 symmetry. The chirality of Cp[Tm Me]-ZrCl 2 is a consequence of the fact that the [Tm Me] ligand exhibits a propeller-like twist such that it has local C 3 symmetry and is therefore devoid of a mirror plane. Variable-temperature 1H NMR studies demonstrate that enantiomer interconversion does not occur on the NMR time scale. In combination with methylalumoxane, Cp[Tm Me]ZrCl 2 produces an active catalyst for ethylene polymerization.

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