Abstract

The interactions of six solvatochromic pyridiniophenolate dyes with α- and β-cyclodextrins were investigated with the aid of UV-vis and 1H NMR spectroscopies, and molecular dynamics simulations. The deduced mode of encapsulation of these dyes within the hydrophobic host cavity was employed as a measure of the relative contributions of the donor and acceptor moieties to their solvatochromic properties. © 2006 Elsevier Ltd. All rights reserved.