Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers

Author:

Ortín-Rubio Borja12ORCID,Rostoll-Berenguer Jaume3,Vila Carlos3ORCID,Proserpio Davide M.4ORCID,Guillerm Vincent5ORCID,Juanhuix Judith6ORCID,Imaz Inhar1,Maspoch Daniel127ORCID

Affiliation:

1. Catalan Institute of Nanoscience and Nanotechnology (ICN2), CSIC and The Barcelona Institute of Science and Technology, Campus UAB, Bellaterra, 08193 Barcelona, Spain

2. Departament de Química, Facultat de Ciències, Universitat Autònoma de Barcelona, 08193 Bellaterra, Spain

3. Departament de Química Orgànica, Facultat de Química, Universitat de València, 46100 Burjassot, València, Spain

4. Dipartamento di Chimica, Università degli Studi di Milano, Milano, 20133, Italy

5. Division of Physical Sciences and Engineering, Advanced Membranes & Porous Materials Center (AMPM), Functional Materials Design, Discovery & Development Research Group (FMD3), King Abdullah University of Science and Technology (KAUST), Thuwal 23955-6900, Kingdom of Saudi Arabia

6. ALBA Synchrotron, 08290 Cerdanyola del Vallès, Barcelona, Spain

7. ICREA, Pg. Lluís Companys 23, 08010 Barcelona, Spain

Abstract

Net-clipping is a strategy for the topological prediction of MOFs built with reduced-symmetry linkers. It is based on the deconstruction of nets by clipping half of the connectivity in tetrahedral, hexagonal, cubic or hexagonal prismatic nodes.

Funder

H2020 European Research Council

Agència de Gestió d'Ajuts Universitaris i de Recerca

Centres de Recerca de Catalunya

Generalitat de Catalunya

Agencia Estatal de Investigación

Ministerio de Ciencia e Innovación

European Commission

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemistry

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