title: Cobalt-catalyzed transformation of molecular dinitrogen into silylamine under ambient reaction conditions.
abstract: The first successful example of cobalt-catalyzed reduction of N2 with Me3 SiCl and Na as a reductant, under ambient reaction conditions, gives N(SiMe3 )3 , which can be readily converted into NH3 . In this reaction system, 2,2'-bipyridine (bpy) is found to work as an effective additive to improve substantially the catalytic activity. CoN2 complexes bearing three Me3 Si groups as ancillary ligands are considered to work as key reactive species based on DFT calculations. The DFT results also allow the proposal of a detailed reaction pathway for the transformation of N2 into N(SiMe3 )3 .
authors.affiliation: Institute of Engineering Innovation, The University of Tokyo, Yayoi, Bunkyo-ku, Tokyo 113-8656 (Japan).
authors.forename: Ryuji
authors.initials: R
authors.lastname: Imayoshi
authors.affiliation: ESICB, Kyoto University, Nishikyo-ku, Kyoto 615-8520 (Japan).
authors.forename: Hiromasa
authors.initials: H
authors.lastname: Tanaka
authors.affiliation: Institute for Materials Chemistry and Engineering and International Research Center for Molecular Systems, Kyushu University, Nishi-ku, Fukuoka 819-0395 (Japan).
authors.forename: Yuki
authors.initials: Y
authors.lastname: Matsuo
authors.affiliation: Institute of Engineering Innovation, The University of Tokyo, Yayoi, Bunkyo-ku, Tokyo 113-8656 (Japan).
authors.forename: Masahiro
authors.initials: M
authors.lastname: Yuki
authors.affiliation: Institute of Engineering Innovation, The University of Tokyo, Yayoi, Bunkyo-ku, Tokyo 113-8656 (Japan).
authors.forename: Kazunari
authors.initials: K
authors.lastname: Nakajima
authors.affiliation: ESICB, Kyoto University, Nishikyo-ku, Kyoto 615-8520 (Japan). kazunari@ms.ifoc.kyushu-u.ac.jp.|Institute for Materials Chemistry and Engineering and International Research Center for Molecular Systems, Kyushu University, Nishi-ku, Fukuoka 819-0395 (Japan). kazunari@ms.ifoc.kyushu-u.ac.jp.
authors.forename: Kazunari
authors.initials: K
authors.lastname: Yoshizawa
authors.affiliation: Institute of Engineering Innovation, The University of Tokyo, Yayoi, Bunkyo-ku, Tokyo 113-8656 (Japan). ynishiba@sogo.t.u-tokyo.ac.jp.
authors.forename: Yoshiaki
authors.initials: Y
authors.lastname: Nishibayashi
keywords: cobalt; density functional calculations; nitrogen fixation; reduction; silylation