Catalysis by Pure Graphene-From Supporting Actor to Protagonist through Shape Complementarity

Asja A. Kroeger; Amir Karton

doi:10.1021/acs.joc.9b01909

Catalysis by Pure Graphene-From Supporting Actor to Protagonist through Shape Complementarity

Asja A. Kroeger, Amir Karton

School of Molecular Sciences

Research output: Contribution to journal › Article

5 Citations (Scopus)

Abstract

In most catalytic applications, graphene is either functionalized or acts as the catalyst support. DFT calculations show on the example of the racemizations of binaphthyl compounds that pure unmodified graphene can directly catalyze chemical processes through stabilizing noncovalent π-π interactions resulting from shape complementarity between transition structures and catalyst.

Original language	English
Pages (from-to)	11343-11347
Number of pages	5
Journal	The Journal of Organic Chemistry
Volume	84
Issue number	17
DOIs	https://doi.org/10.1021/acs.joc.9b01909
Publication status	Published - 6 Sep 2019

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10.1021/acs.joc.9b01909

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1 Active

High-level quantum chemistry: From theory to applications
Karton, A.
Australian Research Council
1/01/17 → 26/12/21
Project: Research

Cite this

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abstract = "In most catalytic applications, graphene is either functionalized or acts as the catalyst support. DFT calculations show on the example of the racemizations of binaphthyl compounds that pure unmodified graphene can directly catalyze chemical processes through stabilizing noncovalent π-π interactions resulting from shape complementarity between transition structures and catalyst.",

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AB - In most catalytic applications, graphene is either functionalized or acts as the catalyst support. DFT calculations show on the example of the racemizations of binaphthyl compounds that pure unmodified graphene can directly catalyze chemical processes through stabilizing noncovalent π-π interactions resulting from shape complementarity between transition structures and catalyst.

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Catalysis by Pure Graphene-From Supporting Actor to Protagonist through Shape Complementarity

Abstract

Access to Document

High-level quantum chemistry: From theory to applications

Cite this