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Homogenous organometallic catalysis

The olefin metathesis reaction is one with no apparent precedent in nature. It involves the recombination of the groups attached to carbon-carbon double bonds. The reaction is accomplished by the use of metal catalysts, the first of which was synthesized and well-defined for this purpose by Richard R. Schrock and co-workers in 1980. Our goal is to explore new analogues of N-heterocyclic carbenes via molecular design and computational modeling. In this topic we are collaborating with experts in chemical synthesis and structural analysis. The project will contribute to a better understanding of how structural changes in carbenes affect the reactivity of Ruthenium-based catalysts of olefin metathesis. The new analogues of N-heterocyclic carbenes will offer new challenges for synthetic chemists, increase our knowledge about them and, in the future, promise to create faster and more efficient catalysts.


Organic/inorganic systems as seen by a computational chemist
I'm interested in the application of quantum and theoretical chemistry as a tool to study organic/inorganic compounds: their physical and molecular properties, equilibria of isomers, theoretical spectra (vibrational/IR, NMR, Raman), reaction mechanisms, thermochemical properties and many others. In this part of my research I use a combination of ab initio and density functional theory techniques. These methods can be particularly useful for systems, for which experimental data are difficult to obtain.

Recently I'm particularly interested in anions and salt receptors based on macrocycles. In collaboration with synthetic chemists from the University of Warsaw I'm investigating their structure-activity relationships and designing new scaffolds with better properties.


Anionic Carbenes and Borylanions: Tuning the properties of ruthenium metal complexes in olefin metathesis, BEETHOVEN 2, 2018-2020.
Funded by: National Science Center

Anionic, cationic and mesoionic analogues of N-heterocyclic carbenes in homogenous catalysis, SONATA BIS 6, 2017-2021.
Funded by: National Science Center

New analogues of N-heterocyclic carbenes in Ruthenium-based metathesis catalysts - design, modeling, synthesis, analysis, OPUS 3, 2013-2016.
Funded by: National Science Center

Green and sustainable catalysts for chemical, agrochemical and pharmaceutical industry, Polish-Siganporean bilateral cooperation, 2012-2015.
Funded by: The National Center for Research and Development

Selected publications:

R. Gawin, A. Tracz, M Chwalba, A. Kozakiewicz, B. Trzaskowski, K. Skowerski, "Cyclic Alkyl Amino Carbene Ruthenium Complexes – Unprecedented Efficiency in Macrocyclization and Acrylonitrile Cross Metathesis", ACS Catal., 7, 5443-5449 (2017).

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).

B. Trzaskowski, K. Grela, "Hoveyda-Grubbs complexes with boryl anions are predicted to be fast metathesis catalysts", Catal. Commun., 86, 133-138 (2016).

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).

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).

P. Horeglad, M. Cybularczyk, B. Trzaskowski, G.Z. Żukowska, M. Dranka, J. Zachara, "Dialkylgallium Alkoxides Stabilized with N-Heterocyclic Carbenes: Opportunities and Limitations for the Controlled and Stereoselective Polymerization of rac-Lactide", Organometallics, 34, 3480-3496 (2015). B. Trzaskowski, K. Grela, "Structural and mechanistic basis of the fast metathesis initiation by six-coordinated ruthenium catalyst", Organometallics, 32, 3625-3630 (2013).

K. Żukowska, A. Szadkowska, B. Trzaskowski, A. Pazio, Ł. Pączek, K. Woźniak, K. Grela, "3-Bromopyridine As a Sixth Ligand in Sulfoxide-Based Hoveyda Complexes: A Study on Catalytic Properties", Organometallics, 32, 2192-2198 (2013).

J. Romanski, B. Trzaskowski, P. Piatek, "Selective NaNO2 recognition by a simple heteroditopic salt receptor based on L-ornithine molecular scaffold", Dalton Trans., Dalton Trans., 42, 15271-15274 (2013).

A.F. Jalbout, B. Trzaskowski, Y. Xia, Y. Li, "Geometry predictions, vibrational analysis and IR intensities of XH3Y (X=C, Si, Ge, Y=F, Cl, Br) calculated by hybrid density functional theory, MP2 and MP4 methods", Acta Chim. Slov., 54, 769-777 (2007).

A.F. Jalbout, A.J. Hameed, B. Trzaskowski, "Computational note on thermochemical stability of the HO2-CHClO complex", J. Mol. Struct. THEOCHEM, 816, 1-3 (2007).

A.F. Jalbout, M.D. Abul Haider Shipar, B. Trzaskowski, L. Adamowicz, "Formation of glyoxal in hydroxyacetaldehyde and glycine nonenzymatic browning Maillard reaction: A computational study", Food Chem., 103, 359-368 (2007).

B. Trzaskowski, R. Guzman, L. Adamowicz, "Cyclododecane and cyclotridecane complexes with cobalt as potent histidine chelators; a theoretical study", Polyhedron, 26, 2477-2481 (2007).