Accessing and predicting the kinetic profiles of homogeneous catalysts from volcano plots.

ABSTRACT: Volcano plots are frequently used as aids in the search for new heterogeneous and electrochemical catalysts. These tools successfully predict catalytic processes based solely on thermodynamic descriptions, which also capably describe many aspects of the catalytic cycles of homogeneous species. However, homogeneous catalysts also frequently depend upon the kinetic influences brought about by steric interactions to promote or prevent specific chemical reactions. Here, a prototypical transformation facilitated by a homogeneous catalysis, the hydroformylation of an olefin using CO and H₂, is examined to establish the viability of creating kinetic volcano plots and to determine their ability to ascertain the influences steric bulk plays on catalytic cycle energetics. Similar to their

SUBMITTER: Wodrich MD 

PROVIDER: S-EPMC6022257 | biostudies-literature | 2016 Sep

REPOSITORIES: biostudies-literature