Issue 67, 2020
From the journal:

Chemical Communications

Topology versus porosity: what can reticular chemistry tell us about free space in metal–organic frameworks?†

Alexander P. Shevchenko,abc   Eugeny V. Alexandrov, ORCID logo abc   Andrey A. Golov, ORCID logo ab   Olga A. Blatova,ab   Alexandra S. Duyunovaa  and  Vladislav A. Blatov ORCID logo *ab  

* Corresponding authors

a Samara Center for Theoretical Materials Science (SCTMS), Samara University, Ac. Pavlov St. 1, 443011 Samara, Russian Federation
E-mail: blatov@topospro.com

b Samara Center for Theoretical Materials Science (SCTMS), Samara State Technical University, Molodogvardeyskaya St. 244, 443100 Samara, Russian Federation

c Samara Branch of P. N. Lebedev Physical Institute of the Russian Academy of Sciences, Novo-Sadovaya St. 221, 443011 Samara, Russian Federation

Abstract

We present the results of a comprehensive geometrical and topological analysis of 3D coordination networks in 33 790 coordination polymers. We have found relations between topological descriptors and free space of the networks, and have revealed topological types that promote high porosity of metal–organic frameworks.

Graphical abstract: Topology versus porosity: what can reticular chemistry tell us about free space in metal–organic frameworks?

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Article information

DOI
https://doi.org/10.1039/D0CC04004E
Article type
Communication
Submitted
08 Jun 2020
Accepted
16 Jul 2020
First published
16 Jul 2020

Chem. Commun., 2020,56, 9616-9619

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Topology versus porosity: what can reticular chemistry tell us about free space in metal–organic frameworks?

A. P. Shevchenko, E. V. Alexandrov, A. A. Golov, O. A. Blatova, A. S. Duyunova and V. A. Blatov, Chem. Commun., 2020, 56, 9616 DOI: 10.1039/D0CC04004E

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