Ab initio modelling
Catalysis
Production of fine chemicals
Catalyst design
Spectroscopy
Dr. ir. Thomas Bogaerts
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Published
2016
Systematic study of the chemical and hydrothermal stability of selected "stable" Metal Organic Frameworks , , 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 , , 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 , , 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 , , 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) , , 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 , , 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 , , ChemCatChem , 5 (12), 3657–3664 , 2013 , IF: 5.044 , 26/136 [Q1]
Ti-functionalized NH2-MIL-47: an effective and stable epoxidation catalyst , , 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 , , 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 , , 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 , , Physical Chemistry Chemical Physics (PCCP) , 15, 642-650 , 2013 , IF: 4.198 , 5/33 [Q1]
Dissertations
(D1) , Design of Metal Organic Frameworks for the Catalytic Production of Fine Chemicals: a Combined Experimental and Computational Investigation , , 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 , , Supervisor(s): Prof. Dr. ir. Veronique Van Speybroeck, Prof. Dr. Pascal Van Der Voort , 2011
2014
Immobilization of a chiral salen catalyst, a grafting versus an encapsulation approach , , The meeting of the Dutch Zeolite Association , Ghent Belgium , Tue, 07/10/2014
A mechanistic investigation of the manganese-salen epoxidation , , 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 , , 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 , , Congress on Catalysis Applied to. Fine Chemicals , Turku Finland , Sun, 16/06/2013 to Wed, 19/06/2013
2014
The influence of immobilization on the selectivity of Jacobsen-salen complexes , , IAP meeting 2014 , Louvain la Neuve Belgium , Fri, 19/09/2014
Immobilization of a chiral salen catalyst, a grafting versus an encapsulation approach , , 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) , , 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 , , Annual IAP Meeting , Ghent, Belgium , Wed, 18/09/2013
Design of enantioselective catalysts in MOF architectures: a combined theoretical and experimental approach , , 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 , , NCCC XIV , Noordwijkerhout, The Netherlands , Mon, 11/03/2013 to Wed, 13/03/2013
2012
Design of enantioselective catalysts in MOF architectures: a combined theoretical and experimental approach , , MOF2012 , Edinburgh UK , Sun, 16/09/2012 to Wed, 19/09/2012
Synthesis, characterization, adsorption and catalytic properties of an amino functionalized Metal-Organic Framework: NH2-MIL-47 , , MOF2012 , Edinburgh UK , Sun, 16/09/2012 to Wed, 19/09/2012
Mechanistic investigation of the enantioselective titaniumtartrate catalyst , , ICTAC-14 , Vlissingen, The Netherlands , Tue, 26/06/2012 to Sat, 30/06/2012
Molecular modeling of the Enantioselective titaniumtartrate catalyst , , 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 , , MolSim 2012 , Amsterdam, NL , Mon, 09/01/2012 to Fri, 20/01/2012
2011
Molecular modeling of enantioselective catalysis in chiral MOFs , , 5th Int. FEZA Conference , Valencia, Spain , Sun, 03/07/2011 to Thu, 07/07/2011
Molecular modeling of enantioselective catalysis in chiral MOFs , , XIIth Netherlands' Catalysis and Chemistry Conference (NCCC XII) , Noordwijkerhout, The Netherlands , Mon, 28/02/2011 to Wed, 02/03/2011