title: Study of the inclusion processes of styrene and alpha-methyl-styrene in beta-cyclodextrin.
abstract: The inclusion complexes of styrene and alpha-methyl-styrene with beta-cyclodextrin (beta-CD) were investigated by using [1H] NMR titration in solution and X-ray diffraction (XRD) analysis, thermo-gravimetric analysis (TGA), elemental analysis (EA) in the solid state. The inclusion process has been studied by using PM3 quantum-mechanical semi-empirical method. The calculated results are in agreed with the experimental data. All results show that alpha-methyl-styrene has stronger interaction with beta-cyclodextrin than styrene does, so the complex of beta-CD-alpha-methyl-styrene is more stable.
authors.affiliation: Lanzhou Institute of Chemical Physics, Chinese Academy of Sciences, Key Laboratory for Natural Medicine of Gansu Province, Lanzhou 730000, PR China.
authors.forename: Yujuan
authors.initials: Y
authors.lastname: Cao
authors.forename: Xiaohua
authors.initials: X
authors.lastname: Xiao
authors.forename: Shengfu
authors.initials: S
authors.lastname: Ji
authors.forename: Runhua
authors.initials: R
authors.lastname: Lu
authors.forename: Qingxiang
authors.initials: Q
authors.lastname: Guo
mesh_terms: D003505:Cyclodextrins / Q000737:chemistry*; D009682:Magnetic Resonance Spectroscopy / Q000379:methods; D008956:Models, Chemical; D008958:Models, Molecular; D020058:Styrene / Q000737:chemistry*; D013343:Styrenes / Q000737:chemistry*; D013696:Temperature; D014961:X-Ray Diffraction; D047392:beta-Cyclodextrins
chemical_list: D003505:Cyclodextrins; D013343:Styrenes; D047392:beta-Cyclodextrins; D020058:Styrene; C017915:alpha-methylstyrol; C031215:betadex