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Issue 79, 2012
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A quantitative study of intrinsic non-covalent interactions within complexes of α-cyclodextrin and benzoate derivatives

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Abstract

A novel deconvolution method for energy-resolved reaction cross sections is applied to determine intrinsic gas-phase dissociation energies for non-covalent α-cyclodextrin host–guest complexes. M06-2X//M06-L/6-31+G(d,p) calculations reproduce the experimental results and enable us to quantify the contribution of intermolecular hydrogen bonding.

Graphical abstract: A quantitative study of intrinsic non-covalent interactions within complexes of α-cyclodextrin and benzoate derivatives

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Publication details

The article was received on 02 Jul 2012, accepted on 26 Jul 2012 and first published on 26 Jul 2012


Article type: Communication
DOI: 10.1039/C2CC34728H
Citation: Chem. Commun., 2012,48, 9864-9866
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    A quantitative study of intrinsic non-covalent interactions within complexes of α-cyclodextrin and benzoate derivatives

    Z. Li, E. P. A. Couzijn and X. Zhang, Chem. Commun., 2012, 48, 9864
    DOI: 10.1039/C2CC34728H

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