Noble guests in organic cages–encapsulation of noble gases by cryptophane
Ćoćić D, Puchta R, van Eldik R (2020)
Publication Type: Journal article
Publication year: 2020
Journal
DOI: 10.1080/00958972.2020.1820494
Abstract
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.
Authors with CRIS profile
Ralph Puchta
Professur für Paläontologie (Schwerpunkt Faziesanalyse)
Rudi van Eldik
Naturwissenschaftliche Fakultät
Involved external institutions
Serbia (RS)How to cite
APA:
Ćoćić, D., Puchta, R., & van Eldik, R. (2020). Noble guests in organic cages–encapsulation of noble gases by cryptophane. Journal of Coordination Chemistry. https://doi.org/10.1080/00958972.2020.1820494
MLA:
Ćoćić, Dušan, Ralph Puchta, and Rudi van Eldik. "Noble guests in organic cages–encapsulation of noble gases by cryptophane." Journal of Coordination Chemistry (2020).
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