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http://dx.doi.org/10.1111/j.1476-5381.1986.tb11123.x

has been cited by the following article:

• TITLE: Structure Elucidation of Benzhexol-β-Cyclodextrin Complex in Aqueous Medium by 1H NMR Spectroscopic and Computational Methods

  AUTHORS: Syed Mashhood Ali, Shazia Shamim

  KEYWORDS: β-Cyclodextrin, Benzhexol, ROESY, Molecular Mechanics

  JOURNAL NAME: Journal of Encapsulation and Adsorption Sciences, Vol.4 No.3, September 4, 2014

  ABSTRACT: Complexation of benzhexol and β-cyclodextrin was studied in aqueous medium. The formation of inclusion complex and its stoichiometry were determined by NMR titration method. ROESY spec-trum, recorded with a mixing time of 0.5 s in few minutes, displayed crosspeaks between phenyl ring of benzhexol and β-cyclodextrin cavity protons established the inclusion of phenyl ring into the cavity. No inference about the distances between interacting protons could be drawn due to spin diffusion. However, analysis of peak intensity ratios of intermolecular crosspeaks suggested partial penetration of phenyl ring from wider side. Molecular mechanics studies supported these conclusions and the lowest energy conformation was proposed as the probable structure of 1:1 benzhexol-β-cyclodextrin complex.