Details

Autor(en) / Beteiligte

• SKALLI, M. K
• MARKOVITS, A
• MINOT, C
• BELMAJDOUB, A

Titel

A theoretical investigation of the role of AlR3 as cocatalyst

Ist Teil von

• Catalysis letters, 2001-09, Vol.76 (1-2), p.7-9

Ort / Verlag

Dordrecht: Springer

Erscheinungsjahr

2001

Quelle

Springer Online Journals【Remote access available】

Beschreibungen/Notizen

• In the present paper, we study the role of AlR3 (R = CH3, Cl) as cocatalyst for the Ziegler–Natta reaction. DFT-GGA calculations show that the cocatalyst facilitates the reduction of the titanium atoms by means of an exchange between the R and Cl ligands. The reductions of the alkylated species of titanium are thermodynamically favorable.