This research group dedicated for understanding of mechanistic fundamentals of main-group and transition-metal complexes and modifications of chemical bonds in relation to general catalysis and solar energy conversion/storage technologies using Quantum-chemistry approach.
At present, we are active within the following areas:
(A) To understand the electronic structure, energetic formation and magnetic properties of inorganic complexes;
(B) To calculate and predict the spectroscopic properties such as UV-Visible, IR, EPR and Mossbauer of Inorganic complexes;
(C) Key components/processes of artificial photochemical systems, i.e. catalysis of water oxidation and dye-regeneration chemistry of solar cells;
(D) Transition metal-catalyzed selective hydrogen transfer and bond-activations such C-H, O-H, N-H, etc. Modelling of bio-inspired metal mediated catalytic transformation reactions.