title: Dinitrogen Activation by Dihydrogen and a PNP-Ligated Titanium Complex.
abstract: The hydrogenolysis of the PNP-ligated titanium dialkyl complex {(PNP)Ti(CH2SiMe3)2} (1, PNP = N(C6H3-2-PiPr2-4-CH3)2) with H2(1 atm) in the presence of N2(1 atm) afforded a binuclear titanium side-on/end-on dinitrogen complex {[(PNP)Ti]2(μ2,η1,η2-N2)(μ2-H)2} (2) at room temperature, which upon heating at 60 °C with H2gave a μ2-imido/μ2-nitrido/hydrido complex {[(PNP)Ti]2(μ2-NH)(μ2-N)H} (3) through the cleavage and partial hydrogenation of the N2unit. The mechanistic aspects of the hydrogenation of the N2unit in 2 with H2have been elucidated by the density functional theory calculations.
authors.affiliation: Organometallic Chemistry Laboratory and RIKEN Center for Sustainable Resource Science , RIKEN, 2-1 Hirosawa, Wako, Saitama 351-0198, Japan.
authors.forename: Baoli
authors.initials: B
authors.lastname: Wang
authors.affiliation: Organometallic Chemistry Laboratory and RIKEN Center for Sustainable Resource Science , RIKEN, 2-1 Hirosawa, Wako, Saitama 351-0198, Japan.
authors.forename: Gen
authors.initials: G
authors.lastname: Luo
authors.affiliation: Organometallic Chemistry Laboratory and RIKEN Center for Sustainable Resource Science , RIKEN, 2-1 Hirosawa, Wako, Saitama 351-0198, Japan.
authors.forename: Masayoshi
authors.initials: M
authors.lastname: Nishiura
authors.affiliation: Organometallic Chemistry Laboratory and RIKEN Center for Sustainable Resource Science , RIKEN, 2-1 Hirosawa, Wako, Saitama 351-0198, Japan.
authors.forename: Shaowei
authors.initials: S
authors.lastname: Hu
authors.affiliation: Organometallic Chemistry Laboratory and RIKEN Center for Sustainable Resource Science , RIKEN, 2-1 Hirosawa, Wako, Saitama 351-0198, Japan.
authors.forename: Takanori
authors.initials: T
authors.lastname: Shima
authors.affiliation: State Key Laboratory of Fine Chemicals, School of Chemical Engineering, Dalian University of Technology , Dalian 116024, China.
authors.forename: Yi
authors.initials: Y
authors.lastname: Luo
authors.affiliation: Organometallic Chemistry Laboratory and RIKEN Center for Sustainable Resource Science , RIKEN, 2-1 Hirosawa, Wako, Saitama 351-0198, Japan.|State Key Laboratory of Fine Chemicals, School of Chemical Engineering, Dalian University of Technology , Dalian 116024, China.
authors.forename: Zhaomin
authors.identifier: 0000-0003-2841-5120
authors.initials: Z
authors.lastname: Hou