Project period: 2013-2016
Funding: NCN Opus 3, UMO-2016/22/E/ST4/00573
PI: dr hab. Bartosz Trzaskowski
The goal of this research project is the design, modeling, synthesis and structural analysis of Rutheniumbased catalysts of olefin metathesis containing new analogues of N-heterocyclic carbenes. This task will be carried out in an interdisciplinary team consisting of scientists, who are experts in organometallic chemistry, crystallography of catalytic compounds and rational design and modeling of transition metal complexes. This project will focus on theoretical modeling and prediction of the properties of Ruthenium complexes, yielding an original approach to this problem through a rational design of new catalytic systems. The results of this project will allow for an accurate characterization of new catalysts and allow to develop a general methodology, which will be used in the future to design new catalysts. The investigations of new analogues of N-heterocyclic carbenes will help to understand the basic relationship between their structure and catalytic activity and speed and will expand our knowledge of these chemical systems.
Selected publications
A. Pazio, K. Woźniak, K. Grela, B. Trzaskowski, "Conformational flexibility of Hoveyda-type and Grubbs-type com-plexes bearing acyclic carbenes and its impact on their catalytic properties", Organometallics, 34, 563-570 (2015). doi:10.1021/om5006462
A. Pazio, K. Woźniak, K. Grela, B. Trzaskowski, "Nitrenium ions and trivalent boron ligands as analogues of N-heterocyclic carbenes in olefin metathesis; a computational study", Dalton Trans., 44, 20021-20026 (2015). doi:10.1039/C5DT03446A.
B. Trzaskowski, K. Grela, "Hoveyda-Grubbs complexes with boryl anions are predicted to be fast metathesis catalysts", Catal. Commun., 86, 133-138 (2016). doi:10.1016/j.catcom.2016.08.025
B. Trzaskowski, K. Ostrowska, "A computational study of structures and catalytic activities of Hoveyda-Grubbs analogues bearing coumarin or isopropoxycoumarin moiety", Catal. Commun., 91, 43-47 (2016). doi:10.1016/j.catcom.2016.12.014
B. Trzaskowski, K. Ostrowska, "Structural analogues of Hoveyda-Grubbs catalysts bearing 1-benzofuran moiety and isopropoxy-1-benzofuran derivatives as olefin metathesis catalysts", RSC Adv., 6, 21423-21429 (2016). doi: 10.1039/C6RA01194B