Issue 7, 2007
From the journal:

Chemical Communications

A theoretical analysis of a classic example of supramolecular catalysis†

Peter Carlqvista  and  Feliu Maseras*ab  

* Corresponding authors

a Institute of Chemical Research of Catalonia (ICIQ), Avgda. Països Catalans 16, Tarragona, Catalonia, Spain
E-mail: fmaseras@iciq.es
Fax: +34 977 920231
Tel: +34 977 920202

b Unitat de Química Física, Edifici Cn, Universitat Autònoma de Barcelona, Bellaterra, Catalonia, Spain

Abstract

Computational chemistry is used to study a 1,3-dipolar cycloaddition between an azide and an alkyne inside the macrocycle cucurbit[6]uril, in order to elucidate the catalytic function of a highly efficient supramolecular catalyst.

Graphical abstract: A theoretical analysis of a classic example of supramolecular catalysis

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Article information

DOI
https://doi.org/10.1039/B613434C
Article type
Communication
Submitted
18 Sep 2006
Accepted
01 Nov 2006
First published
21 Nov 2006

Chem. Commun., 2007, 748-750

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A theoretical analysis of a classic example of supramolecular catalysis

P. Carlqvist and F. Maseras, Chem. Commun., 2007, 748 DOI: 10.1039/B613434C

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