Dr. ir. Thomas Bogaerts

Ab initio modelling
Catalysis
Production of fine chemicals
Catalyst design
Spectroscopy

A1 publications

2016

Systematic study of the chemical and hydrothermal stability of selected "stable" Metal Organic Frameworks , K. Leus, T. Bogaerts, J. De Decker, H. Depauw, K. Hendrickx, H. Vrielinck, V. Van Speybroeck, P. Van der Voort , Microporous and Mesoporous Materials , 226, 110-116 , 2016 , IF: 3.349 , 10/71 [Q1]

2015

Fine-tuning the theoretically predicted structure of MIL-47(V) with the aid of powder X-ray diffraction , T. Bogaerts, L. Vanduyfhuys, D.E.P. Vanpoucke, J. Wieme, M. Waroquier, P. Van der Voort, V. Van Speybroeck , CrystEngComm , 17, 8612–8622 , 2015 , IF: 3.849 , 4/26 [Q1]
The enantioselectivity of the manganese-salen complex in the epoxidation of unfunctionalized olefins and the influence of grafting , T. Bogaerts, S. Wouters, P. Van der Voort, V. Van Speybroeck , Journal of Molecular Catalysis A: Chemical , Vol. 406, 106-113 , 2015 , IF: 3.958 , 37/144 [Q2]
Mechanistic investigation on the oxygen transfer with the manganese-salen complex , T. Bogaerts, S. Wouters, P. Van der Voort, V. Van Speybroeck , ChemCatChem , 7 (17), 2711–2719 , 2015 , IF: 4.724 , 29/144 [Q1]

2014

Communication: DMRG-SCF study of the singlet, triplet, and quintet states of oxo-Mn(Salen) , S. Wouters, T. Bogaerts, P. Van der Voort, V. Van Speybroeck, D. Van Neck , Journal of Chemical Physics , 140, 241103 , 2014 , IF: 2.952 , 8/34 [Q1]

2013

Mn-salen@MIL101(Al) a heterogeneous, enantioselective catalyst using a ‘bottle around the ship’ approach , T. Bogaerts, A. Van Yperen-De Deyne, Y-Y Liu, F. Lynen, V. Van Speybroeck, P. Van der Voort , Chemical Communications , 2013 (49), 8021-8023 , 2013 , IF: 6.718 , 20/148 [Q1]
Bimetallic–Organic Framework as a Zero-Leaching Catalyst in the Aerobic Oxidation of Cyclohexene , Y-Y Liu, K. Leus, T. Bogaerts, K. Hemelsoet, E. Bruneel, V. Van Speybroeck, P. Van der Voort , ChemCatChem , 5 (12), 3657–3664 , 2013 , IF: 5.044 , 26/136 [Q1]
Ti-functionalized NH2-MIL-47: an effective and stable epoxidation catalyst , K. Leus, G. Vanhaelewyn, T. Bogaerts, Y-Y Liu, F. Esquivel, F. Callens, G.B. Marin, V. Van Speybroeck, H. Vrielinck, P. Van der Voort , Catalysis Today , 208, 97-105 , 2013 , IF: 3.309 , 15/133 [Q1]
Covalent immobilization of the Jacobsen catalyst on mesoporous phenolic polymer: a highly enantioselective and stable asymmetric epoxidation catalyst , J. De Decker, T. Bogaerts, I. Muylaert, S. Delahaye, F. Lynen, V. Van Speybroeck, A. Verberckmoes, P. Van der Voort , Materials Chemistry and Physics , 141 (2013), 967-972 , 2013 , IF: 2.129 , 70/251 [Q2]
Bipyridine-Based Nanosized Metal–Organic Framework with Tunable Luminescence by a Postmodification with Eu(III): An Experimental and Theoretical Study , Y-Y Liu, R. Decadt, T. Bogaerts, K. Hemelsoet, A.M. Kaczmarek, D. Poelman, M. Waroquier, V. Van Speybroeck, R. Van Deun, P. Van der Voort , Journal of Physical Chemistry C , 117 (21), 11302–11310 , 2013 , IF: 4.835 , 29/251 [Q1]
Quantification of silanol sites for the most common mesoporous ordered silicas and organosilicas: total versus accessible silanols , M. Ide, M. El-Roz, E. De Canck, A. Vicente, T. Planckaert, T. Bogaerts, I. Van Driessche, F. Lynen, V. Van Speybroeck, F. Thibault-Starzyk, P. Van der Voort , Physical Chemistry Chemical Physics (PCCP) , 15, 642-650 , 2013 , IF: 4.198 , 5/33 [Q1]

A2 publications

B publications

P1 publications

Keynote / Plenary / Invited talks

Talks

2014

Immobilization of a chiral salen catalyst, a grafting versus an encapsulation approach , T. Bogaerts, V. Van Speybroeck, P. Van der Voort , The meeting of the Dutch Zeolite Association , Ghent Belgium , Tue, 07/10/2014
A mechanistic investigation of the manganese-salen epoxidation , T. Bogaerts, A. Van Yperen-De Deyne, S. Wouters, D. Van Neck, P. Van der Voort, V. Van Speybroeck , 15th International Conference on Theoretical Aspects of Catalysis (ICTAC15) , London, United Kingdom , Mon, 30/06/2014 to Fri, 04/07/2014
Unraveling the mechanism of the manganese-salen epoxidation , T. Bogaerts, A. Van Yperen-De Deyne, S. Wouters, D. Van Neck, P. Van der Voort, V. Van Speybroeck , XVth Netherlands' Catalysis and Chemistry Conference (NCCC XV) , Noordwijkerhout, The Netherlands , Mon, 10/03/2014 to Wed, 12/03/2014

2013

Design of enantioselective catalysts in MOF architectures: a combined computational and experimental approach , T. Bogaerts, M. Vandichel, Y-Y Liu, M. Waroquier, V. Van Speybroeck, P. Van der Voort , Congress on Catalysis Applied to. Fine Chemicals , Turku Finland , Sun, 16/06/2013 to Wed, 19/06/2013

Posters

2014

The influence of immobilization on the selectivity of Jacobsen-salen complexes , T. Bogaerts, P. Van der Voort, V. Van Speybroeck , IAP meeting 2014 , Louvain la Neuve Belgium , Fri, 19/09/2014
Immobilization of a chiral salen catalyst, a grafting versus an encapsulation approach , T. Bogaerts, V. Van Speybroeck, P. Van der Voort , FEZA2014 , Leipzig, Germany , Mon, 08/09/2014 to Thu, 11/09/2014
DMRG-SCF study of the singlet, triplet, and quintet states of oxo-Mn(Salen) , S. Wouters, T. Bogaerts, P. Van der Voort, V. Van Speybroeck, D. Van Neck , Low-scaling and Unconventional Electronic Structure Techniques Conference , Telluride, CO, USA , Sun, 01/06/2014 to Thu, 05/06/2014

2013

Design of enantioselective catalysts in MOF architectures: a combined computational and experimental approach , T. Bogaerts, A. Van Yperen-De Deyne, Y-Y Liu, V. Van Speybroeck, P. Van der Voort , Annual IAP Meeting , Ghent, Belgium , Wed, 18/09/2013
Design of enantioselective catalysts in MOF architectures: a combined theoretical and experimental approach , T. Bogaerts, M. Vandichel, P. Van der Voort, V. Van Speybroeck , NCCC XIV , Noordwijkerhout, The Netherlands , Mon, 11/03/2013 to Wed, 13/03/2013
Immobilization of a homogeneous enantioselective catalysts on a large pore Metal-Organic Framework , Y. Aelbrecht, T. Bogaerts, M. Vandichel, K. Hemelsoet, P. Van der Voort, V. Van Speybroeck , NCCC XIV , Noordwijkerhout, The Netherlands , Mon, 11/03/2013 to Wed, 13/03/2013

2012

Synthesis, characterization, adsorption and catalytic properties of an amino functionalized Metal-Organic Framework: NH2-MIL-47 , K. Leus, S. Couck, T. Bogaerts, M. Vandichel, Y-Y Liu, M. Waroquier, V. Van Speybroeck, J.F.M. Denayer, P. Van der Voort , MOF2012 , Edinburgh UK , Sun, 16/09/2012 to Wed, 19/09/2012
Design of enantioselective catalysts in MOF architectures: a combined theoretical and experimental approach , T. Bogaerts, M. Vandichel, V. Van Speybroeck, P. Van der Voort , MOF2012 , Edinburgh UK , Sun, 16/09/2012 to Wed, 19/09/2012
Mechanistic investigation of the enantioselective titaniumtartrate catalyst , T. Bogaerts, M. Vandichel, M. Waroquier, P. Van der Voort, V. Van Speybroeck , ICTAC-14 , Vlissingen, The Netherlands , Tue, 26/06/2012 to Sat, 30/06/2012
Molecular modeling of the Enantioselective titaniumtartrate catalyst , T. Bogaerts, M. Vandichel, M. Waroquier, P. Van der Voort, V. Van Speybroeck , XIIIth Netherlands' Catalysis and Chemistry Conference (NCCC XIII) , Noordwijkerhout, The Netherlands , Mon, 05/03/2012 to Wed, 07/03/2012
Molecular modeling of the Enantioselective titaniumtartrate catalyst , T. Bogaerts, M. Vandichel, M. Waroquier, P. Van der Voort, V. Van Speybroeck , MolSim 2012 , Amsterdam, NL , Mon, 09/01/2012 to Fri, 20/01/2012

2011

Molecular modeling of enantioselective catalysis in chiral MOFs , T. Bogaerts, M. Vandichel, M. Waroquier, P. Van der Voort, V. Van Speybroeck , 5th Int. FEZA Conference , Valencia, Spain , Sun, 03/07/2011 to Thu, 07/07/2011
Molecular modeling of enantioselective catalysis in chiral MOFs , T. Bogaerts, M. Vandichel, M. Waroquier, P. Van der Voort, V. Van Speybroeck , XIIth Netherlands' Catalysis and Chemistry Conference (NCCC XII) , Noordwijkerhout, The Netherlands , Mon, 28/02/2011 to Wed, 02/03/2011

Dissertations

(D1) , Design of Metal Organic Frameworks for the Catalytic Production of Fine Chemicals: a Combined Experimental and Computational Investigation , T. Bogaerts , Supervisor(s): Prof. Dr. ir. Veronique Van Speybroeck, Prof. Dr. Pascal Van Der Voort , 25/09/2015
(D2) , Chemische Kinetiek van Enantioselectieve Oxidaties in Metaal Organische Roosters , T. Bogaerts , Supervisor(s): Prof. Dr. ir. Veronique Van Speybroeck, Prof. Dr. Pascal Van Der Voort , 2011