NDLI: Two-Dimensional Chiral Molecular Networks from Achiral Building Blocks: A Computational Study

Content Provider	Springer Nature Link
Author	Szabelski, Paweł Kasperski, Adam
Copyright Year	2011
Abstract	This article describes the application of computer simulations to explore the self-assembly of model achiral molecules on a solid surface leading to the creation of chiral overlayers. To that purpose the lattice gas Monte Carlo method is used to trace the spontaneous self-organization of cross- and tripod-shaped molecules which are represented by rigid planar structures comprising interconnected segments. The study focuses mainly on the influence of size and composition of the molecules on the morphology of the resulting superstructures. It is clearly demonstrated that the molecules, although intrinsically achiral, can assembly into globally chiral two-dimensional networks with regular cavities. Our simulations show also how the chiral networks can be obtained via co-assembly with much smaller molecules and how the additive fills the cavities. In this case, the mixed superstructure is further used as a model enantioselective adsorbent whose adsorptive properties are examined by simulating adsorption isotherms of a racemic mixture of a prototype chiral molecule. The results of this part indicate that the achiral molecular building blocks can be used to construct enantioselective surfaces with tunable adsorption properties.
Starting Page	1368
Ending Page	1377
Page Count	10
File Format	PDF
ISSN	10225528
Journal	Topics in Catalysis
Volume Number	54
Issue Number	19-20
e-ISSN	15729028
Language	English
Publisher	Springer US
Publisher Date	2011-10-18
Publisher Place	Boston
Access Restriction	One Nation One Subscription (ONOS)
Subject Keyword	Self-assembly Monte Carlo simulation Chirality Adsorption Pattern formation Characterization and Evaluation of Materials Physical Chemistry Catalysis Pharmacy Industrial Chemistry/Chemical Engineering
Content Type	Text
Resource Type	Article
Subject	Chemistry Catalysis

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