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

Shevchenko, Alexander P; Alexandrov, Eugeny V; Golov, Andrey A; Blatova, Olga A; Duyunova, Alexandra S; Blatov, Vladislav A

Shevchenko, Alexander P; Alexandrov, Eugeny V; Golov, Andrey A; Blatova, Olga A; Duyunova, Alexandra S; Blatov, Vladislav A.

Afiliación

Shevchenko AP; Samara Center for Theoretical Materials Science (SCTMS), Samara University, Ac. Pavlov St. 1, 443011 Samara, Russian Federation. blatov@topospro.com.

Chem Commun (Camb) ; 56(67): 9616-9619, 2020 Aug 28.

Article en En | MEDLINE | ID: mdl-32701103

RESUMEN

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.

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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: Chem Commun (Camb) Asunto de la revista: QUIMICA Año: 2020 Tipo del documento: Article Pais de publicación: Reino Unido

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