Global ETD Search

1	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. Ternary molecular complex Crystal engineering Proton behaviour 4-dimethylaminobenzoic acid (4-DABA) 3 5-dinitrobenzoic acid (3 5-DNBA) 4 40-bipyridine (BIPY)