% IMPORTANT: The following is UTF-8 encoded.  This means that in the presence
% of non-ASCII characters, it will not work with BibTeX 0.99 or older.
% Instead, you should use an up-to-date BibTeX implementation like “bibtex8” or
% “biber”.

@ARTICLE{Grne:824943,
      author       = {Görne, Arno L. and George, Janine and van Leusen, Jan and
                      Dück, Gerald and Jacobs, Philipp and Kumar, Naveen and
                      Dronskowski, Richard},
      title        = {{A}mmonothermal {S}ynthesis, {C}rystal {S}tructure, and
                      {P}roperties of the {Y}tterbium({II}) and {Y}tterbium({III})
                      {A}mides and the {F}irst {T}wo {R}are-{E}arth-{M}etal
                      {G}uanidinates, {Y}b{C}({NH})$_{3}$ and {Y}b({CN}$_{3}$
                      {H}$_{4}$)$_{3}$},
      journal      = {Inorganic chemistry},
      volume       = {55},
      number       = {12},
      issn         = {1520-510X},
      address      = {Washington, DC},
      publisher    = {American Chemical Society},
      reportid     = {FZJ-2016-07439},
      pages        = {6161 - 6168},
      year         = {2016},
      abstract     = {We report the oxidation-controlled synthesis of the
                      ytterbium amides Yb(NH2)2 and Yb(NH2)3 and the first
                      rare-earth-metal guanidinates YbC(NH)3 and Yb(CN3H4)3 from
                      liquid ammonia. For Yb(NH2)2, we present experimental atomic
                      displacement parameters from powder X-ray diffraction (PXRD)
                      and density functional theory (DFT)-derived hydrogen
                      positions for the first time. For Yb(NH2)3, the indexing
                      proposal based on PXRD arrives at R3̅, a = 6.2477(2) Å, c
                      = 17.132(1) Å, V = 579.15(4) Å3, and Z = 6. The
                      oxidation-controlled synthesis was also applied to make the
                      first rare-earth guanidinates, namely, the doubly
                      deprotonated YbC(NH)3 and the singly deprotonated
                      Yb(CN3H4)3. YbC(NH)3 is isostructural with SrC(NH)3, as
                      derived from PXRD (P63/m, a = 5.2596(2) Å, c = 6.6704(2)
                      Å, V = 159.81(1) Å3, and Z = 2). Yb(CN3H4)3 crystallizes
                      in a structure derived from the [ReO3] type, as studied by
                      powder neutron diffraction (Pn3̅, a = 13.5307(3) Å, V =
                      2477.22(8) Å3, and Z = 8 at 10 K). Electrostatic and
                      hydrogen-bonding interactions cooperate to stabilize the
                      structure with wide and empty channels. The IR spectra of
                      the guanidinates are compared with DFT-calculated phonon
                      spectra to identify the vibrational modes. SQUID
                      magnetometry shows that Yb(CN3H4)3 is a paramagnet with
                      isolated Yb3+ (4f13) ions. A CONDON 2.0 fit was used to
                      extract all relevant parameters.},
      cin          = {ICS-1 / Neutronenstreuung ; JCNS-1 / JCNS-SNS},
      ddc          = {540},
      cid          = {I:(DE-Juel1)ICS-1-20110106 / I:(DE-Juel1)JCNS-1-20110106 /
                      I:(DE-Juel1)JCNS-SNS-20110128},
      pnm          = {551 - Functional Macromolecules and Complexes (POF3-551) /
                      6G4 - Jülich Centre for Neutron Research (JCNS) (POF3-623)
                      / 6215 - Soft Matter, Health and Life Sciences (POF3-621)},
      pid          = {G:(DE-HGF)POF3-551 / G:(DE-HGF)POF3-6G4 /
                      G:(DE-HGF)POF3-6215},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000378369900054},
      pubmed       = {pmid:27248288},
      doi          = {10.1021/acs.inorgchem.6b00736},
      url          = {https://juser.fz-juelich.de/record/824943},
}