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

Involved external institutions

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).

BibTeX: Download