Center for Molecular Modeling - F.X. Llabres i Xamena

Metal-organic and covalent organic frameworks as single-site catalysts

sven — Fri, 13 Jan 2017 12:53:35 +0000

S.M.J. Rogge, A. Bavykina, J. Hajek, H. Garcia, A.I. Olivos-Suarez, A. Sepúlveda-Escribano, A. Vimont, G. Clet, P. Bazin, F. Kapteijn, M. Daturi, E.V. Ramos-Fernandez, F.X. Llabres i Xamena, V. Van Speybroeck, J. Gascon

Chemical Society Reviews

46 (11), 3134-3184

2017

Abstract

Heterogeneous single-site catalysts consist of isolated, well-defined, active sites that are spatially separated in a given solid and, ideally, structurally identical. In this review, the potential of metal–organic frameworks (MOFs) and covalent organic frameworks (COFs) as platforms for the development of heterogeneous single-site catalysts is reviewed thoroughly. In the first part of this article, synthetic strategies and progress in the implementation of such sites in these two classes of materials are discussed. Because these solids are excellent playgrounds to allow a better understanding of catalytic functions, we highlight the most important recent advances in the modelling and spectroscopic characterization of single-site catalysts based on these materials. Finally, we discuss the potential of MOFs as materials in which several single-site catalytic functions can be combined within one framework along with their potential as powerful enzyme-mimicking materials. The review is wrapped up with our personal vision on future research directions.

Open Access version available at UGent repository

Gold Open Access

DOI

http://dx.doi.org/10.1039/C7CS00033B

Private attachment

Rogge_MOF_2017.pdf

First principle study of active sites on UiO-66 for Fischer esterification

wim — Tue, 12 Sep 2017 07:43:18 +0000

C. Caratelli, J. Hajek, F. G. Cirujano, M. Waroquier, F.X. Llabres i Xamena, V. Van Speybroeck

ISBN/ISSN:

Talk

Conference / event / venue

Europacat 2017

Florence, Italy

Sunday, 27 August, 2017 to Thursday, 31 August, 2017

Conference reference

EUROPACAT 2017

Catalytic sites on UiO-66 for Fischer esterification

chiara — Thu, 03 Nov 2016 16:19:01 +0000

C. Caratelli, J. Hajek, G. Cirujano, A. Corma, M. Waroquier, F.X. Llabres i Xamena, V. Van Speybroeck

ISBN/ISSN:

Poster

Conference / event / venue

IAP meeting

Liege

Monday, 12 September, 2016

Abstract title: Nature of active sites on UiO-66 and UiO-66-NH2 in the catalysis of Fischer esterification.

chiara — Mon, 30 May 2016 08:40:22 +0000

C. Caratelli, J. Hajek, G. Cirujano, A. Corma, M. Waroquier, F.X. Llabres i Xamena, V. Van Speybroeck

ISBN/ISSN:

Talk

Conference / event / venue

Chemical Research in Flanders Symposium (CRF-1)

Blankenberge

Monday, 24 October, 2016 to Wednesday, 26 October, 2016

Abstract (private)

Chiara Caratelli_Nature of active sites on UiO-66 and UiO-66-NH2 in the catalysis of Fischer esterification..pdf

Catalytic role of UiO-66 and UiO-66-NH2 in Fischer esterification: a mechanistic study

wim — Fri, 22 Jan 2016 15:39:01 +0000

C. Caratelli, J. Hajek, G. Cirujano, A. Corma, M. Waroquier, F.X. Llabres i Xamena, V. Van Speybroeck

ISBN/ISSN:

Poster

Conference / event / venue

NCCC XVII

Noordwijkerhout, The Netherlands

Monday, 7 March, 2016 to Wednesday, 9 March, 2016

Abstract (private)

abstract_submission_NCCC_chiara.pdf

Conference reference

NCCC XVII