Structural characterization of imazalil/beta-cyclodextrin inclusion complex.
An equimolar inclusion complex between imazalil, a selected fungicide, and beta-cyclodextrin using an aqueous standard solution procedure has been obtained. The complex has been investigated in solution by (1)H and (13)C NMR techniques in combination with computational methods in order to establish a valuable analytical protocol through which to gain insight into the interactions of the inclusion complex in aqueous solution. Intramolecular NMR distance constraints have been detected and used for three-dimensional complex structure determination.
Consonni
Roberto
R
Istituto per lo Studio delle Macromolecole, Lab NMR, CNR, Via Bassini 15, 20133 Milano, Italy. roberto.consonni@ismac.cnr.it
Recca
Teresa
T
Dettori
Maria Antonietta
MA
Fabbri
Davide
D
Delogu
Giovanna
G
D003505:Cyclodextrins / Q000737:chemistry*; D005659:Fungicides, Industrial / Q000737:chemistry*; D007093:Imidazoles / Q000737:chemistry*; D009682:Magnetic Resonance Spectroscopy; D015394:Molecular Structure; D012996:Solutions; D014867:Water; D047392:beta-Cyclodextrins
D003505:Cyclodextrins; D005659:Fungicides, Industrial; D007093:Imidazoles; D012996:Solutions; D047392:beta-Cyclodextrins; D014867:Water; C017435:enilconazole; C031215:betadex