Welcome @ Computational Inorganic Chemistry Group
1. Small molecule activation
2. Noncovalent interactions
3. Ziegler-Natta catalysis
Despite its huge commercial success, heterogenous Ziegler-Natta (ZN) catalysis at a molecular level remains elusive. There are four principal components in ZN; (1) TiCl4 as a pre-catalyst, (2) MgCl2 as surface, (3) alkyl aluminum species as cocatalyst, and (4) Lewis base donors. Oxygen-containing small molecules are generally using as donors in ZN, which are very useful to enhance the regioselectivity and stereoselectivity of the resulting polymer. In our group, we are trying to understand the possible roles of donors in the catalytic system.
For further information;
J. Phys. Chem. C. 2010, 114, 37, 15771-15781.
Eur. J. Inorg. Chem. 2014, 5063-5076.
Organometallics 2014, 33, 4357-4367.
ChemCatChem 2016, 8, 1809-1818.
J. Phys. Chem. C 2018, 122, 285-296.
ChemCatChem 2021, 13, 674-681.