Linear Approximation Method to the Nuclear Magnetic Resonance (NMR) Spectra-Based Titration Data of Inclusion Host-Guest Complexes (Part 4) -Dual Obtention of Association Constants among One Host and Two Guests from Three Ingredient Systems -

摘要

Based upon the titrative 'H NMR spectral data， a new dual calculation strategy of Host-Guest association constants out of three ingredient systems (one host and two guests) is established as an application of the author's "linear approximation method". In the present study， systems involving one host and one racemic guest (= two enantiomers) are sought. Key to the new strategy is the realization that maximum chemical shift changes (Δδmax'S) are obtainable without significant deviations from true values， when data collections are done under conditions of [Host]/[Guest]= constant and simulations are done using [Guest] (= [(S)-Guest] + [(R)ーGuest])instead of [(S)-Guest] or [(R)-Guest]. Theoretical ca1culations are discussed.