News12.07.2016Publication of “Experimental and theoretical study of weak intermolecular interactions in crystalline tertiary squaramides” |
|
|
Rafel Prohens of the Polymorphism and Calorimetry Technology of the CCiTUB along with Mercè Font-Bardia of the X-Ray Diffraction Technology, have published the article “Experimental and theoretical study of weak intermolecular interactions in crystalline tertiary squaramides” in the journal CrystEngComm. This is one of the solid state chemistry magazines with a higher impact and the article in question is available at the following link [+] .
Article Summary: “We report the X-ray solid state structures of two tertiary squaramides, i.e. 3-(diethylamino)-4-ethoxy-cyclobutene-1,2- dione (1) and bis-3,4-(diethylamino)-cyclobutene-1,2-dione (2). Compound 1 forms electrostatically compressed dimers in the solid state. Moreover, compound 2 exhibits a remarkable solid state architecture resembling a lipid bilayer. This supramolecular assembly has been analyzed using high level DFT calculations and the Bader’s theory of “atoms-inmolecules”. The antiparallel CO···CO interactions of the cyclobutenedione rings and hydrophobic interactions involving the ethyl chains are crucial for the formation of the bilayer assembly in the solid state.” | |