EMAIL THIS PAGE TO A FRIEND

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy

Inclusion complexation of chloropropham with β-cyclodextrin: preparation, characterization and molecular modeling.


PMID 21757399

Abstract

An inclusion complex between the agrochemical chloropropham (CIPC) and β-cyclodextrin (β-CD) was prepared. A 2:1 host-guest stoichiometry was conformed by elemental analysis. From the phase solubility studies, the calculated stepwise stability constants were K(1)=224.6L/mol and K(2)=939.2L/mol, respectively. FT-IR, thermoanalysis and (1)H NMR spectra were applied to characterize the complex. It was speculated that the inclusion mode was two β-CD cavities included the chlorophenyl and the isopropyl moiety of one CIPC molecule, which was in agreement with the most predominant configuration optimized by molecular modeling. By complexation with β-CD, the water solubility and the thermal stability of CIPC were prominently improved.

Related Materials

Product #

Image

Description

Molecular Formula

Add to Cart

45393
Chlorpropham, PESTANAL®, analytical standard
C10H12ClNO2