- A quantitative study of intrinsic non-covalent interactions within complexes of α-cyclodextrin and benzoate derivatives.
A quantitative study of intrinsic non-covalent interactions within complexes of α-cyclodextrin and benzoate derivatives.
Chemical communications (Cambridge, England) (2012-08-07)
Zhongshu Li, Erik P A Couzijn, Xiangyang Zhang
PMID22864340
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.
MATERIALS
Product Number
Brand
Product Description
Sigma-Aldrich
α-Cyclodextrin, Produced by Wacker Chemie AG, Burghausen, Germany, Life Science, 98.0-101.0% cyclodextrin basis (HPLC)