title: Single-Face/All-cis Arene Hydrogenation by a Supported Single-Site d(0) Organozirconium Catalyst.
abstract: The single-site supported organozirconium catalyst Cp*ZrBz2 /ZrS (Cp*=Me5 C5 , Bz=benzyl, ZrS=sulfated zirconia) catalyzes the single-face/all-cis hydrogenation of a large series of alkylated and fused arene derivatives to the corresponding all-cis-cyclohexanes. Kinetic/mechanistic and DFT analysis argue that stereoselection involves rapid, sequential H2 delivery to a single catalyst-bound arene face, versus any competing intramolecular arene π-face interchange.
authors.affiliation: Department of Chemistry, Northwestern University, 2145 Sheridan Rd., Evanston, IL, 60608, USA.
authors.forename: Madelyn Marie
authors.initials: MM
authors.lastname: Stalzer
authors.affiliation: Exploratory Catalysis Research, UOP LLC, a Honeywell Company, 25 E. Algonquin Rd, Des Plaines, IL, 60017, USA.
authors.forename: Christopher P
authors.initials: CP
authors.lastname: Nicholas
authors.affiliation: Exploratory Catalysis Research, UOP LLC, a Honeywell Company, 25 E. Algonquin Rd, Des Plaines, IL, 60017, USA.
authors.forename: Alak
authors.initials: A
authors.lastname: Bhattacharyya
authors.affiliation: Dipartimento di Chimica and INSTM UdR Roma, Universitá degli Studi di Roma "La Sapienza", P.le A. Moro 5, 00185, Roma, Italy.
authors.forename: Alessandro
authors.initials: A
authors.lastname: Motta
authors.affiliation: Department of Chemistry, Northwestern University, 2145 Sheridan Rd., Evanston, IL, 60608, USA. m-delferro@northwestern.edu.
authors.forename: Massimiliano
authors.initials: M
authors.lastname: Delferro
authors.affiliation: Department of Chemistry, Northwestern University, 2145 Sheridan Rd., Evanston, IL, 60608, USA. t-marks@northwestern.edu.
authors.forename: Tobin J
authors.initials: TJ
authors.lastname: Marks
keywords: DFT calculations; organozirconium catalyst; stereoselective hydrogenation; sulfated oxides; supported catalysts