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Tuning proton behavior in a ternary molecular complex.Thomas, L.H., Blagden, Nicholas, Gutmann, M.J., Kallay, A.A., Parkin, A., Seaton, Colin C., Wilson, C.C. 06 1900 (has links)
No / The multicomponent ternary complex of 4-dimethylaminobenzoic acid (4-DABA), 3,5-dinitrobenzoic acid
(3,5-DNBA), and 4,40-bipyridine (BIPY) has been studied by variable temperature X-ray and neutron diffraction. Proton disorder is
observed within the 4-DABA homodimers present and quantitatively evaluated from neutron data. The effect of the crystal
environment and in particular the pyramidalization of the nitrogen atom within the 4-DABA molecule and the consequential
effect on the presence of hydrogen atom disorder are discussed with reference to the previously determined pure 4-DABA
structure and the binary cocrystal with 3,5-DNBA.
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