|
|||||
|
|
Functionalized Graphene as a Gatekeeper for Chiral Molecules: An Alternative Concept for Chiral Separation |
|
| Authors: | Andreas W Hauser Narbe Mardirossian Julien A Panetier Martin Head‐Gordon Alexis T Bell Peter Schwerdtfeger |
| Institution: | 1. Department of Chemical and Biomolecular Engineering, University of California, Berkeley, CA 94720‐1462 (USA);2. Department of Chemistry, University of California, Berkeley, CA 94720‐1462 (USA);3. Centre for Theoretical Chemistry and Physics (CTCP), The New Zealand Institute for Advanced Study (NZIAS), Massey University, Bob Tindall Building, 0632 Auckland (New Zealand) |
| Abstract: | 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. |
| Keywords: | chiral separation enantiomers graphene racemic mixture |