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@ARTICLE{Szklarz:849749,
      author       = {Szklarz, P. and Jakubas, R. and Piecha-Bisiorek, A. and
                      Bator, G. and Chański, M. and Medycki, W. and Wuttke,
                      Joachim},
      title        = {{O}rganic-inorganic hybrid crystals, (2,4,6-{CH} 3 {P}y{H})
                      3 {S}b 2 {C}l 9 and (2,4,6-{CH} 3 {P}y{H}) 3 {B}i 2 {C}l 9 .
                      {C}rystal structure characterization and tunneling of {CH} 3
                      groups studied by 1 {H} {NMR} and neutron spectroscopy},
      journal      = {Polyhedron},
      volume       = {139},
      issn         = {0277-5387},
      address      = {Amsterdam [u.a.]},
      publisher    = {Elsevier Science},
      reportid     = {FZJ-2018-03872},
      pages        = {249 - 256},
      year         = {2018},
      abstract     = {The crystal structures of (2,4,6-CH3PyH)3Sb2Cl9 (TMPCA) and
                      (2,4,6-CH3PyH)3Bi2Cl9 (TMPCB) (Py – pyridine) have been
                      determined at 100 K by the single crystal X-ray
                      diffraction method. TMPCA and TMPCB crystallize in the
                      monoclinic C2/c and triclinic P1 polar space group,
                      respectively. In both cases the asymmetric part is comprised
                      of three nonequivalent 2,4,6-trimethylpyridinium cations and
                      a discrete M2Cl93− anion. The Bi2Cl93− moiety forms a
                      face-sharing bi-octahedron, whereas in a case of Sb2Cl93−
                      we deal with two pyramids connected by a corner. The
                      inelastic neutron scattering spectra (INS) were recorded for
                      TMPCA at low temperatures (4–50 K). Two peaks on each
                      side of the central elastic line have been observed at ca.
                      4.8 and 2.9 μeV, the high energy peak exhibits an
                      excitation energy value equal to ca. 6 meV. For TMPCA and
                      TMPCB the 1H NMR spin–lattice relaxation times, T1, have
                      been measured in the temperature region 15–410 K. The
                      flattening of the T1 (spin–lattice) vs. reciprocal
                      temperature, 1/T, dependence between 30 K and 15 K
                      indicates the incoherent tunneling effect of the methyl
                      group being treated as the quantum rotor. The conclusions
                      drawn from the 1H NMR results as regards to the tunneling of
                      the CH3 groups in the pyridinium cations are consistent with
                      the tunneling peaks observed in the INS spectra.},
      cin          = {JCNS (München) ; Jülich Centre for Neutron Science JCNS
                      (München) ; JCNS-FRM-II / Neutronenstreuung ; JCNS-1 /
                      JCNS-2},
      ddc          = {540},
      cid          = {I:(DE-Juel1)JCNS-FRM-II-20110218 /
                      I:(DE-Juel1)JCNS-1-20110106 / I:(DE-Juel1)JCNS-2-20110106},
      pnm          = {6G4 - Jülich Centre for Neutron Research (JCNS) (POF3-623)
                      / 6G15 - FRM II / MLZ (POF3-6G15)},
      pid          = {G:(DE-HGF)POF3-6G4 / G:(DE-HGF)POF3-6G15},
      experiment   = {EXP:(DE-MLZ)SPHERES-20140101},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000419409900030},
      doi          = {10.1016/j.poly.2017.10.030},
      url          = {https://juser.fz-juelich.de/record/849749},
}