G. Bagdžiu̅nas, R. Lytvyn
2018
Citations
0
Influential Citations
0
Citations
Journal
Journal name not available for this finding
Abstract
Planar 1,4-di-p-tolylbutane-1,4-dione was synthesized via one-flask ZnCl 2 ·Et 3 N·t-BuOH mediated cascade condensation of 4-methylacetophenone and 2-bromo-4'-methylacetophenone. Non-covalent interactions have been analyzed in the solid state from crystal analysis data. Moreover, the hyperconjugation effects in this molecule and n-butane as model have been investigated and compared employing the density functional theory (DFT) and potential energy scans.