A molecular modeling study of the changes of some steric properties of the precatalysts during the olefin metathesis reaction
Date
2014Author
Marx, Frans T.I.
Jordaan, Johan H.L.
Lachmann, Gerhard
Vosloo, Hermanus C.M.
Metadata
Show full item recordAbstract
The productive self-metathesis of 1-octene with a series of new
phosphine ligated Grubbs-type precatalysts was studied. The
resulting structures were used to compare some steric properties
of the new precatalysts with those of well-known precatalysts.
The possibility of α-CC agnostic stabilization as well as the
ability of the ligands to shield the metal was studied. A comparison
of the obtained data, pointed to the unlikelihood that α-
CC agostic stabilization is a major contribution to the stabilization
of the various metallacyclobutane rings. The similarity in
the ability of the ligands to shield the metal also raised questions
about the comparison of experimentally observed trends
with those obtained theoretically
URI
http://hdl.handle.net/10394/16171https://doi.org/10.1002/jcc.23641
https://onlinelibrary.wiley.com/doi/abs/10.1002/jcc.23641