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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.