On the nature of the active centre in ethylene polymerisation using bis(imido)chromium(VI) catalyst precursors.

Vidar R. Jensen* and Knut J. Børve*

Department of Chemistry, University of Bergen, N-5007 Bergen, Norway.

Table. DFT-optimised structures
 

Species	R = H	R = tBu
1Fb	xyz	xyz
[1Fb-2g]‡	xyz	xyz
2g	xyz	-
[1Fb-3Fb]‡	xyz	-
3Fb	xyz	xyz
[3Fb-4]‡	xyz	xyz
4(1A)	xyz	-
4(3A)	xyz	-
[3Fb-3Bb]‡	xyz	-
3Bb	xyz	-
[3Bb-1Bb]‡	xyz	xyz
1Bb	xyz	-
[1Bb-2d]‡	xyz	xyz
2d	xyz	-