Inclusion Complexes of Dimethyl 2,6-Naphthalenedicarboxylate with α- and β-Cyclodextrins in Aqueous Medium: Thermodynamics and Molecular Mechanics Studies

作者: Marta Cervero , Francisco Mendicuti

DOI: 10.1021/JP993418W

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摘要: Steady-state fluorescence and molecular mechanics have been used to study the inclusion complexes of dimethyl 2,6-naphthalenedicarboxylate (DMN) with α- β-cyclodextrins (CDs). Emission spectra DMN show two bands whose ratio is very sensitive medium polarity. From change this CD concentration temperature, stoichiometry, formation constants, changes enthalpy entropy upon formed were obtained. Stoichiometry depends on host used. The estimated constants at 25 °C (8.2 ± 0.6) × 105 M-2 for DMN:αCD2 1311 57 M-1 DMN:βCD. A dependence thermodynamic parameters ΔH° ΔS° temperature was also found. Both showed a negative ΔCp°. In addition, seems be good probe estimating microenvironmental Molecular calculations employed 1:1 1:2 both βCDs. mainly performed in pr...

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