Luc Haspeslagh - Profile on Academia.edu (original) (raw)

Papers by Luc Haspeslagh

A process for the preparation of olefin polymers

Chemistry - A European Journal

For the Table of Contents entry Origins of stereoselectivity in propylene polymerization for a se... more For the Table of Contents entry Origins of stereoselectivity in propylene polymerization for a series of isoselective metallocenes belonging to two different families, namely C1-symmetric {Cp/Flu}-type and C2-symmetric {SBI}-type systems, were apprehended by theoretical calculations using an improved DFT model, and meso/rac pentad distributions were predicted with good precision.

Process for preparing polyolefin fluff using metallocene catalyst

Syndiotactic homopolymers of olefins

Polymerization of polyethylene having high molecular weight

Process for producing syndiotactic copolymers of propylene and olefins

Catalyst and Process for the Polymerization of Olefins

Process for preparing polyolefin fluff having controlled morphology using metallocene catalysis

Are Solvent and Dispersion Effects Crucial in Olefin Polymerization DFT Calculations? Some Insights from Propylene Coordination and Insertion Reactions with Group 3 and 4 Metallocenes

ACS Catalysis, 2015

The primary insertion (or 1,2-insertion) of propylene into (C5Me5)2YCH2CH2CH(Me)2, as well as the... more The primary insertion (or 1,2-insertion) of propylene into (C5Me5)2YCH2CH2CH(Me)2, as well as the primary and secondary (or 2,1) insertions of propylene into the activated ansa-zirconocene complex [{Ph(H)C-(3,6-tBu2Flu)(3-tBu-5-Me-C5H2)}ZrMe]+ were calculated with several DFT methods to find the most adequate methodology for the computation of metallocene-catalyzed olefin polymerization reactions. For the yttrium system, both solvent corrections and dispersion corrections are needed to determine energies of coordination and activation barriers in agreement with experimental data. Dispersion corrections were included directly via the use of specific functionals like B97D and M06 or were added as empirical corrections (GD3BJ) to the B3PW91 calculations. For the zirconocene system, the best method is a combination of B3PW91 with solvent corrections incorporated with the SMD continuum model. The dispersion corrections, included via both GD3BJ and M06, tend to overestimate the stabilization of the adducts beca...

Crystal structures and stereospecific propylene polymerizations with chiral hafnium metallocene catalysts

Journal of the American Chemical Society, 1987

Et [Ind], HfCIz (0.17) 50 26.8 2724 2.2 136 Et [Ind], HfCIz (3.4) 50 43.6 304 2.3 136 Et [IndH4] ... more Et [Ind], HfCIz (0.17) 50 26.8 2724 2.2 136 Et [Ind], HfCIz (3.4) 50 43.6 304 2.3 136 Et [IndH4] 2HfC12 (1.41) 50 9.1 150 2.2 142 Et [IndH4l2HfCl2 (1.48) 80 34.8 42 2.4 127 EtlIndLZrCI,(1.44) 50 21.2 28 2.1 134 Et~ IndH4], Zr~ 1,(1.45)* 80 25.5 9 2.1 117

Crystal structures and stereospecific propylene polymerizations with chiral hafnium metallocene catalysts

Journal of the American …, 1987

Metallocene/Polypropylene Structural Relationships: Implications on Polymerization and Stereochemical Control Mechanisms

… . Chem. Macromol. Symp, 1991

... MECHANISMS John A. Ewen,* M. J. Elder, R. L. Jones, Luc Haspeslagh, Jerry L. Atwood, a)Simon ... more ... MECHANISMS John A. Ewen,* M. J. Elder, R. L. Jones, Luc Haspeslagh, Jerry L. Atwood, a)Simon G. Bott, ')Kerry Robinson.a) ... temperature. 90° pulse width was used with 3.74 seconds acquisition time and 20 second delay for 1D. ...

A process for the preparation of olefin polymers

Chemistry - A European Journal

Process for preparing polyolefin fluff using metallocene catalyst

Syndiotactic homopolymers of olefins

Polymerization of polyethylene having high molecular weight

Process for producing syndiotactic copolymers of propylene and olefins

Catalyst and Process for the Polymerization of Olefins

Process for preparing polyolefin fluff having controlled morphology using metallocene catalysis

Are Solvent and Dispersion Effects Crucial in Olefin Polymerization DFT Calculations? Some Insights from Propylene Coordination and Insertion Reactions with Group 3 and 4 Metallocenes

ACS Catalysis, 2015

Crystal structures and stereospecific propylene polymerizations with chiral hafnium metallocene catalysts

Journal of the American Chemical Society, 1987

Crystal structures and stereospecific propylene polymerizations with chiral hafnium metallocene catalysts

Journal of the American …, 1987

Metallocene/Polypropylene Structural Relationships: Implications on Polymerization and Stereochemical Control Mechanisms

… . Chem. Macromol. Symp, 1991