title: A normal equilibrium isotope effect for oxidative addition of H2 to (eta6-anthracene)Mo(PMe3)3.
abstract: Oxidative addition of H2 and D2 to the anthracene complex (eta6-AnH)Mo(PMe3)3 giving (eta4-AnH)Mo(PMe3)3X2 (X = H, D) is characterized by a normal equilibrium isotope effect (KH/KD > 1) at temperatures close to ambient; calculations on (eta4-AnH)Mo(PH3)3H2 indicate that this is a consequence of relatively low energy Mo-H vibrational modes.
authors.affiliation: Department of Chemistry, Columbia University, New York, NY 10027, USA. parkin@columbia.edu.
authors.forename: Guang
authors.initials: G
authors.lastname: Zhu
authors.forename: Kevin E
authors.initials: KE
authors.lastname: Janak
authors.forename: Gerard
authors.initials: G
authors.lastname: Parkin
mesh_terms: D000873:Anthracenes / Q000737:chemistry*; D003903:Deuterium / Q000737:chemistry; D006859:Hydrogen / Q000737:chemistry*; D008968:Molecular Conformation; D008982:Molybdenum / Q000737:chemistry*; D009942:Organometallic Compounds / Q000737:chemistry*; D010084:Oxidation-Reduction; D013237:Stereoisomerism; D013696:Temperature
chemical_list: D000873:Anthracenes; D009942:Organometallic Compounds; D006859:Hydrogen; D008982:Molybdenum; D003903:Deuterium; C034020:anthracene