Solid state 13C NMR characterisation study on fourth generation Ziegler-Natta catalysts

Harri Heikkinen (Corresponding Author), Tiina Liitiä, Ville Virkkunen, Timo Leinonen, Tuulamari Helaja, Peter Denifl

Research output: Contribution to journalArticleScientificpeer-review

6 Citations (Scopus)

Abstract

In this study, solid state 13C NMR spectroscopy was utilised to characterize and identify the metal–ester coordination in active fourth generation (phthalate) Ziegler–Natta catalysts. It is known that different donors affect the active species in ZN catalysts. However, there is still limited data available of detailed molecular information how the donors and the active species are interplaying. One of the main goals of this work was to get better insight into the interactions of donor and active species. Based on the anisotropy tensor values (δ11, δ22, δ33) from low magic-angle spinning (MAS) 13C NMR spectra in combination with chemical shift anisotropy (CSA) calculations (δaniso and η), both the coordinative metal (Mg/Ti) and the symmetry of this interaction between metal and the internal donor in the active catalyst (MgCl2/TiCl4/electron donor) system could be identified.
Original languageEnglish
Pages (from-to)36-41
Number of pages6
JournalSolid State Nuclear Magnetic Resonance
Volume43-44
DOIs
Publication statusPublished - 2012
MoE publication typeA1 Journal article-refereed

Fingerprint

Ziegler catalyst
Nuclear magnetic resonance
solid state
catalysts
nuclear magnetic resonance
Catalysts
Anisotropy
Metals
phthalates
anisotropy
Magnesium Chloride
Magic angle spinning
Chemical shift
metals
metal spinning
Nuclear magnetic resonance spectroscopy
Tensors
chemical equilibrium
interactions
tensors

Keywords

  • 13C
  • CSA
  • ZN
  • Coordination
  • Donor

Cite this

Heikkinen, Harri ; Liitiä, Tiina ; Virkkunen, Ville ; Leinonen, Timo ; Helaja, Tuulamari ; Denifl, Peter. / Solid state 13C NMR characterisation study on fourth generation Ziegler-Natta catalysts. In: Solid State Nuclear Magnetic Resonance. 2012 ; Vol. 43-44. pp. 36-41.
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abstract = "In this study, solid state 13C NMR spectroscopy was utilised to characterize and identify the metal–ester coordination in active fourth generation (phthalate) Ziegler–Natta catalysts. It is known that different donors affect the active species in ZN catalysts. However, there is still limited data available of detailed molecular information how the donors and the active species are interplaying. One of the main goals of this work was to get better insight into the interactions of donor and active species. Based on the anisotropy tensor values (δ11, δ22, δ33) from low magic-angle spinning (MAS) 13C NMR spectra in combination with chemical shift anisotropy (CSA) calculations (δaniso and η), both the coordinative metal (Mg/Ti) and the symmetry of this interaction between metal and the internal donor in the active catalyst (MgCl2/TiCl4/electron donor) system could be identified.",
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Solid state 13C NMR characterisation study on fourth generation Ziegler-Natta catalysts. / Heikkinen, Harri (Corresponding Author); Liitiä, Tiina; Virkkunen, Ville; Leinonen, Timo; Helaja, Tuulamari; Denifl, Peter.

In: Solid State Nuclear Magnetic Resonance, Vol. 43-44, 2012, p. 36-41.

Research output: Contribution to journalArticleScientificpeer-review

TY - JOUR

T1 - Solid state 13C NMR characterisation study on fourth generation Ziegler-Natta catalysts

AU - Heikkinen, Harri

AU - Liitiä, Tiina

AU - Virkkunen, Ville

AU - Leinonen, Timo

AU - Helaja, Tuulamari

AU - Denifl, Peter

PY - 2012

Y1 - 2012

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AB - In this study, solid state 13C NMR spectroscopy was utilised to characterize and identify the metal–ester coordination in active fourth generation (phthalate) Ziegler–Natta catalysts. It is known that different donors affect the active species in ZN catalysts. However, there is still limited data available of detailed molecular information how the donors and the active species are interplaying. One of the main goals of this work was to get better insight into the interactions of donor and active species. Based on the anisotropy tensor values (δ11, δ22, δ33) from low magic-angle spinning (MAS) 13C NMR spectra in combination with chemical shift anisotropy (CSA) calculations (δaniso and η), both the coordinative metal (Mg/Ti) and the symmetry of this interaction between metal and the internal donor in the active catalyst (MgCl2/TiCl4/electron donor) system could be identified.

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KW - CSA

KW - ZN

KW - Coordination

KW - Donor

U2 - 10.1016/j.ssnmr.2012.02.006

DO - 10.1016/j.ssnmr.2012.02.006

M3 - Article

VL - 43-44

SP - 36

EP - 41

JO - Solid State Nuclear Magnetic Resonance

JF - Solid State Nuclear Magnetic Resonance

SN - 0926-2040

ER -