The first theoretical study on the mechanism of [RhCl(CO)2]2-catalyzed [5+1] cycloadditions of 3-acyloxy-1,4-enyne(ACE) and CO has been performed using density functional theory(DFT) calculations.
The activation and transformation of aromatic carbon-oxygen(CAr-O) bonds in lignin to useful chemical building blocks have great potential in chemical industry.
The purpose of this exploratory investigation is to characterize,contrast and explain the differences between efficient Ni(π-allyl)2 and inefficient Pd(π-allyl)2 systems in the catalyzed cross-couplin
We developed a new hybrid enhanced sampling method that combines the selective integrated tempering sampling(SITS)method [1] with the metadynamics method[2].
Recently,through the use of chiral bulky-Rh2L4 catalyst,highly enantioselective [3+2]-cycloaddition between nitrones and vinyldiazoacetates(reaction a) has been achieved[1].
The catalytic conversion of methanol to formaldehyde by three kinds of non-porphyrin Ru complexes.RuⅣO(TPA)(TPA = tris(2-pyridylmethyl)amine)(1a),RuⅣO(6-COO-TPA)(6-COO-TPA = 2-(6-carboxyl-pyridyl)meth