Density functional theory(DFT)can be used to study the three-center two-electron(3c2e)bonding mode,which is universal in catalysts containing alkaline-earth(Ae)and boron-group(Bg)elements.
In this work,a brand new nanocomposite(denoted as TpBD@rGO)is designed and synthesized as expected,and it shows a highly-sensitive response towards cynarin as the modified material.
Lewis acid has been revealed to have a significant effect on the overlap mode of frontier molecular orbitals(FMOs)for the [2+2] cycloaddition or four-menbered ring-opening process in our previous work
Based on the experiment,[1] the mechanism of [2+4] cyclization of allenic esters and cyclic ketimines catalyzed by 4-dimethylaminopyridine(DMAP)for forming highly functionalized hydropyridine derivati