Tuning proton behavior in a ternary molecular complex

Thomas, L. H., Blagden, Nicholas, 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, 10 (6). pp. 2770-2774. ISSN 1528-7483

Full content URL: http://www.scopus.com/inward/record.url?eid=2-s2.0...

Full text not available from this repository.

Item Type:Article
Item Status:Live Archive

Abstract

The multicomponent ternary complex of 4-dimethylaminobenzoic acid (4-DABA), 3,5-dinitrobenzoic acid (3,5-DNBA), and 4,4-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. © 2010 American Chemical Society.

Subjects:B Subjects allied to Medicine > B230 Pharmacy
F Physical Sciences > F100 Chemistry
Divisions:College of Science > School of Pharmacy
ID Code:8753
Deposited On:04 Apr 2013 11:04

Repository Staff Only: item control page