Literature DB >> 17392971

A theoretical analysis of a classic example of supramolecular catalysis.

Peter Carlqvist1, Feliu Maseras.   

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.

Entities:  

Year:  2006        PMID： 17392971     DOI： 10.1039/b613434c

Source DB:  PubMed          Journal:  Chem Commun (Camb)        ISSN： 1359-7345            Impact factor:   6.222


  4 in total

1.  Encapsulation of alkyl and aryl derivatives of quaternary ammonium cations within cucurbit[n]uril (n = 6,7) and their inverted diastereomers: density functional investigations.

Authors:  Ishita A Raja; Vivekanand V Gobre; Rahul V Pinjari; Shridhar P Gejji
Journal:  J Mol Model       Date:  2014-02-25       Impact factor: 1.810

2.  Confinement induced catalytic activity in a Diels-Alder reaction: comparison among various CB[n], n = 6-8, cavitands.

Authors:  Manas Ghara; Debdutta Chakraborty; Pratim K Chattaraj
Journal:  J Mol Model       Date:  2018-08-10       Impact factor: 1.810

3.  Origin of the Rate Acceleration in the C-C Reductive Elimination from Pt(IV)-complex in a [Ga4 L6 ]12- Supramolecular Metallocage.

Authors:  Gantulga Norjmaa; Jean-Didier Maréchal; Gregori Ujaque
Journal:  Chemistry       Date:  2021-10-13       Impact factor: 5.020

4.  Differentiation of Epoxide Enantiomers in the Confined Spaces of an Homochiral Cu(II) Metal-Organic Framework by Kinetic Resolution.

Authors:  Juanjo Cabezas-Giménez; Vanesa Lillo; José Luis Núñez-Rico; M Nieves Corella-Ochoa; Jesús Jover; José Ramón Galán-Mascarós; Anton Vidal-Ferran
Journal:  Chemistry       Date:  2021-07-09       Impact factor: 5.020
  4 in total

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