Functionalized Graphene as a Gatekeeper for Chiral Molecules: An Alternative Concept for Chiral Separation | Zendy

Hauser Andreas W. | Zendy; Mardirossian Narbe | Zendy; Panetier Julien A. | Zendy; HeadGordon Martin | Zendy; Bell Alexis T. | Zendy; Schwerdtfeger Peter | Zendy

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Functionalized Graphene as a Gatekeeper for Chiral Molecules: An Alternative Concept for Chiral Separation

Author(s) -

Hauser Andreas W.,

Mardirossian Narbe,

Panetier Julien A.,

HeadGordon Martin,

Bell Alexis T.,

Schwerdtfeger Peter

Publication year - 2014

Publication title -

angewandte chemie international edition

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 5.831

H-Index - 550

eISSN - 1521-3773

pISSN - 1433-7851

DOI - 10.1002/anie.201403145

Subject(s) - nanoporous , graphene , enantiomer , molecule , chirality (physics) , materials science , density functional theory , nanotechnology , separation (statistics) , chemical physics , computational chemistry , chemistry , computer science , physics , organic chemistry , chiral anomaly , quantum mechanics , fermion , nambu–jona lasinio model , machine learning

We propose a new method of chiral separation using functionalized nanoporous graphene as an example. Computational simulations based on density functional theory show that the attachment of a suitable chiral “bouncer” molecule to the pore rim prevents the passage of the undesired enantiomer while letting its mirror image through.

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