First principles (DFT) characterization of RhI/dppp-catalyzed C-H activation by tandem 1,2-addition/1,4-Rh shift reactions of norbornene to phenylboronic acid

• Main Authors: Kantchev , Eric Assen B., Pangestu, Surya R., Zhou, Feng, Sullivan, Michael B., Su, Hai-Bin
• Other Authors: School of Materials Science & Engineering
• Format: Article
• Language: English
• Published: 2014
• Subjects: DRNTU::Science::Chemistry
• Online Access: https://hdl.handle.net/10356/103155; http://hdl.handle.net/10220/24442
• Institution: Nanyang Technological University

The C-H activation in the tandem, “merry-go-round”, [(dppp)Rh]-catalyzed (dppp=1,3-bis(diphenylphosphino)propane), four-fold addition of norborene to PhB(OH)2 has been postulated to occur by a C(alkyl)-H oxidative addition to square-pyramidal RhIII-H species, which in turn undergoes a C(aryl)-H redu...