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Updated: Mar 3, 2026

Synthesis of Single-Crystalline Core-Shell Metal-Organic Frameworks
Published on: February 10, 2023
A synthetic co-crystal prepared by cooperative single-crystal-to-single-crystal solid-state Diels-Alder reaction
1Molecular Sciences Institute, School of Chemistry, University of the Witwatersrand, PO Wits 2050, Johannesburg, South Africa. Manuel.Fernandes@wits.ac.za.
Abstract:
A single-crystal-to-single-crystal solid-state reaction involving the 2 : 1 charge-transfer complex of 9-bromoanthracene and bis(N-cyclobutylimino)-1,4-dithiin leads to a synthetic co-crystal composed of the Diels-Alder cycloadduct and unreacted 9-bromoanthracene molecules. Analysis of close contacts in the product crystal and DFT energy calculations indicate an ordered arrangement of product and unreacted molecules due to cooperative effects during the reaction.
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