Mechanism of Heterolytic Hydrogen Splitting by Frustrated Lewis Pairs: Comparison of Static and Dynamic Models
Sign Up to like & getrecommendations! Published in 2019 at "ACS Catalysis"
DOI: 10.1021/acscatal.9b01137
Abstract: Free energy surfaces generated via ab initio molecular dynamics simulations for H2 activation reactions with intramolecular frustrated Lewis pairs (FLPs) point to a concerted (single-step) mechanism of H–H bond cleavage. Statistical analysis carried out for… read more here.
Keywords: heterolytic hydrogen; lewis pairs; mechanism heterolytic; hydrogen splitting ... See more keywords