Abstract
A conformational study of 2-anilino-6-naphthalenesulfonate (2,6-ANS), a widely used “fluorescence probe” compound, was carried out using classical potential energy functions (the CAMSEQ method) with a 2-dimensional, torsional correction term. A variety of solvent environments was considered, including aqueous, 1 -octanol, ethanol, and methanol in addition to the isolated molecule. The results agree with crystal data for a closely related compound, but differ from a previous theoretical study. The calculated equilibrium geometry appears to be relatively insensitive to solvent environment.
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