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Title: Noble guests in organic cages–encapsulation of noble gases by cryptophane
Authors: Ćoćić, Dušan
Puchta, Ralph
van Eldik R.
Journal: Journal of Coordination Chemistry
Issue Date: 1-Jan-2020
Abstract: © 2020 Informa UK Limited, trading as Taylor & Francis Group. With the application of DFT calculations (ωB97XD/def2-SVP/SVPfit), the ability and mechanism of noble gas encapsulation by cryptophane was investigated. Based on the applied model reaction, by monitoring geometric changes and investigating the non-covalent interactions between the studied hosts and the noble gases, the size of the host did not necessarily play a decisive role in the selective encapsulation of the guests. Rather the adjustment of the host’s interior and functionalization of its “gates” can be significant in tuning the affinity of cryptophanes.
Type: Article
DOI: 10.1080/00958972.2020.1820494
ISSN: 00958972
SCOPUS: 85091300173
Appears in Collections:Faculty of Science, Kragujevac
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