Tuning proton behavior in a ternary molecular complex.

Description

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.

Links & Downloads

1. Thomas, L. H., Blagden, N., Gutmann, M. J., Kallay, A. A., Parkin, A., Seaton, C. C. and Wilson, C. C. (2010). Tuning proton behavior in a ternary molecular complex. Crystal Growth and Design. Vol. 10, No. 6, pp. 2770-2774.
2. http://hdl.handle.net/10454/4855
3. https://doi.org/10.1021/cg100315u

Tags

Ternary molecular complex

Crystal engineering

Proton behaviour

4-dimethylaminobenzoic acid (4-DABA)

3

5-dinitrobenzoic acid (3

5-DNBA)

4

40-bipyridine (BIPY)

Additional Fields

Identifer	oai:union.ndltd.org:BRADFORD/oai:bradscholars.brad.ac.uk:10454/4855
Date	06 1900
Creators	Thomas, L.H., Blagden, Nicholas, Gutmann, M.J., Kallay, A.A., Parkin, A., Seaton, Colin C., Wilson, C.C.
Source Sets	Bradford Scholars
Language	English
Detected Language	English
Type	Article, No full-text in the repository