Specialized Ruthenium Olefin Metathesis Catalysts
Bearing Bulky Unsymmetrical NHC Ligands: Computations, Synthesis,
and Application
Paweł Małecki
Katarzyna Gajda
Roman Gajda
Krzysztof Woźniak
Bartosz Trzaskowski
Anna Kajetanowicz
Karol Grela
10.1021/acscatal.8b04783.s002
https://acs.figshare.com/articles/dataset/Specialized_Ruthenium_Olefin_Metathesis_Catalysts_Bearing_Bulky_Unsymmetrical_NHC_Ligands_Computations_Synthesis_and_Application/7492355
Second-generation
ruthenium olefin metathesis catalysts were investigated
with systematic variation of the unsymmetrical uNHC ligands. Depending
on the uNHC steric bulk, the catalysts exhibited different activity
and selectivity in metathesis reactions. DFT calculations and X-ray
crystallographic data were used to understand the influence of uNHC
ligand structure on the catalyst properties. Furthermore, the catalysts
were examined in the context of reactions that are problematic for
general-purpose Ru catalysts, including industrially important self-cross
metathesis of α-olefins and ethenolysis of ethyl oleate.
2018-12-20 15:34:08
catalyst properties
unsymmetrical uNHC ligands
Specialized Ruthenium Olefin Metathesis Catalysts Bearing Bulky Unsymmetrical NHC Ligands
uNHC ligand structure
self-cross metathesis
Ru catalysts
α- olefins
DFT calculations
Application Second-generation ruthenium olefin metathesis catalysts
ethyl oleate
metathesis reactions
uNHC steric bulk