Tolman's cone angle is an established measure for quantifying the size of phosphine ligands, and a similar concept has now been applied to cyclopentadienyl and indenyl ligands. Based on X-ray structural data of different (C7H7)ZrR (R = Cp or Ind) complexes, we have determined the cone angle of twelve cyclopentadienyl and indenyl ligands, ranging from no substitution in C5H5 to pentasubstitution in penta(iso-propyl)cyclopentadienyl. The order of size nicely explains the unusual behaviour previously observed for complexes bearing bulky Cp ligands. For the present study, formerly unknown (C7H7)ZrR complexes have been synthesized and subsequently fully characterized by straightforward salt metathesis reactions using (C7H7)ZrCl(tmeda) as starting material.

How big is a Cp? Cycloheptatrienyl zirconium complexes with bulky cyclopentadienyl and indenyl ligands

243rd National Meeting (2012)

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.