Wang Y1, Wei D, Li Z, Zhu Y, Tang M.
J Phys Chem A. 2014 Jun 19;118(24):4288-300. doi: 10.1021/jp500358m. Epub 2014 Jun 6.The detailed mechanisms and diastereoselectivities of Lewis acid-promoted ketene-alkene [2 + 2] cycloaddition reactions have been studied by density functional theory (DFT). Four possible reaction channels, including two noncatalyzed diastereomeric reaction channels (channels A and B) and two Lewis acid (LA) ethylaluminum dichloride (EtAlCl2) catalyzed diastereomeric reaction channels (channels C and D), have been investigated in this work. Read More