Structural Characterization of β-Agostic Bonds in Pd-Catalyzed Polymerization

Hongwei Xu, Chunhua Tony Hu, Xiaoping Wang, Tianning Diao

Research output: Contribution to journalArticle

Abstract

β-agostic Pd complexes are critical intermediates in catalytic reactions, such as olefin polymerization and Heck reactions. Pd β-agostic complexes, however, have eluded structural characterization, due to the fact that these highly unstable molecules are difficult to isolate. Herein, we report the single-crystal X-ray and neutron diffraction characterization of β-agostic (α-diimine)Pd-ethyl intermediates in polymerization. Short Cα-Cβ distances and acute Pd-Cα-Cβ bond angles combined serve as unambiguous evidence for the β-agostic interaction. Characterization of the agostic structure and the kinetic barrier for β-H elimination offer important insight into the fundamental understanding of agostic bonds and the mechanism of polymerization.

Original languageEnglish (US)
Pages (from-to)4099-4102
Number of pages4
JournalOrganometallics
Volume36
Issue number21
DOIs
StatePublished - Nov 13 2017

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polymerization
Polymerization
Alkenes
Neutron diffraction
alkenes
neutron diffraction
elimination
Single crystals
X ray diffraction
Molecules
Kinetics
single crystals
kinetics
diffraction
molecules
x rays
interactions

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Organic Chemistry
  • Inorganic Chemistry

Cite this

Structural Characterization of β-Agostic Bonds in Pd-Catalyzed Polymerization. / Xu, Hongwei; Hu, Chunhua Tony; Wang, Xiaoping; Diao, Tianning.

In: Organometallics, Vol. 36, No. 21, 13.11.2017, p. 4099-4102.

Research output: Contribution to journalArticle

Xu, Hongwei ; Hu, Chunhua Tony ; Wang, Xiaoping ; Diao, Tianning. / Structural Characterization of β-Agostic Bonds in Pd-Catalyzed Polymerization. In: Organometallics. 2017 ; Vol. 36, No. 21. pp. 4099-4102.
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