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https://scidar.kg.ac.rs/handle/123456789/10696
Назив: | Noble guests in organic cages–encapsulation of noble gases by cryptophane |
Аутори: | Ćoćić, Dušan Puchta, Ralph van Eldik R. |
Датум издавања: | 2020 |
Сажетак: | © 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. |
URI: | https://scidar.kg.ac.rs/handle/123456789/10696 |
Тип: | article |
DOI: | 10.1080/00958972.2020.1820494 |
ISSN: | 0095-8972 |
SCOPUS: | 2-s2.0-85091300173 |
Налази се у колекцијама: | Faculty of Science, Kragujevac |
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