Functionalized graphene as a gatekeeper for chiral molecules: An alternative concept for chiral separation

Andreas Hauser; Narbe Mardirossian; Julien A. Panetier; Martin Head-Gordon; Alexis T. Bell; Peter Schwerdtfeger

doi:10.1002/anie.201403145

Functionalized graphene as a gatekeeper for chiral molecules: An alternative concept for chiral separation

Andreas Hauser^*, Narbe Mardirossian, Julien A. Panetier, Martin Head-Gordon, Alexis T. Bell, Peter Schwerdtfeger

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

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.

Original language	English
Pages (from-to)	9957-9960
Number of pages	4
Journal	Angewandte Chemie - International Edition
Volume	53
Issue number	37
DOIs	https://doi.org/10.1002/anie.201403145
Publication status	Published - 8 Sept 2014
Externally published	Yes

Keywords

chiral separation
enantiomers
graphene
racemic mixture

ASJC Scopus subject areas

Catalysis
Chemistry(all)

Fields of Expertise

Advanced Materials Science

Access to Document

10.1002/anie.201403145

Cite this

@article{7edcbace899d4634b3a036a22d649530,

title = "Functionalized graphene as a gatekeeper for chiral molecules: An alternative concept for chiral separation",

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",

author = "Andreas Hauser and Narbe Mardirossian and Panetier, {Julien A.} and Martin Head-Gordon and Bell, {Alexis T.} and Peter Schwerdtfeger",

year = "2014",

month = sep,

day = "8",

doi = "10.1002/anie.201403145",

language = "English",

volume = "53",

pages = "9957--9960",

journal = "Angewandte Chemie - International Edition ",

issn = "1433-7851",

publisher = "Wiley-VCH ",

number = "37",

}

TY - JOUR

T1 - Functionalized graphene as a gatekeeper for chiral molecules

T2 - An alternative concept for chiral separation

AU - Hauser, Andreas

AU - Mardirossian, Narbe

AU - Panetier, Julien A.

AU - Head-Gordon, Martin

AU - Bell, Alexis T.

AU - Schwerdtfeger, Peter

PY - 2014/9/8

Y1 - 2014/9/8

N2 - 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.

AB - 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.

KW - chiral separation

KW - enantiomers

KW - graphene

KW - racemic mixture

UR - http://www.scopus.com/inward/record.url?scp=84906948876&partnerID=8YFLogxK

U2 - 10.1002/anie.201403145

DO - 10.1002/anie.201403145

M3 - Article

AN - SCOPUS:84906948876

SN - 1433-7851

VL - 53

SP - 9957

EP - 9960

JO - Angewandte Chemie - International Edition

JF - Angewandte Chemie - International Edition

IS - 37

ER -

Functionalized graphene as a gatekeeper for chiral molecules: An alternative concept for chiral separation

Abstract

Keywords

ASJC Scopus subject areas

Fields of Expertise

Access to Document

Other files and links

Cite this