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@ARTICLE{Rok:840549,
      author       = {Rok, M. and Szklarz, P. and Moskwa, M. and Kijewska, M. and
                      Baran, J. and Bator, G. and Medycki, W. and Zamponi, M.},
      title        = {{S}tructures and phase transitions in neat 4,4′-di- tert
                      -butyl-2,2′-bipyridyl and in its molecular complexes with
                      either bromanilic or iodanilic acid},
      journal      = {CrystEngComm},
      volume       = {19},
      number       = {45},
      issn         = {1466-8033},
      address      = {London},
      publisher    = {RSC},
      reportid     = {FZJ-2017-08056},
      pages        = {6883 - 6895},
      year         = {2017},
      abstract     = {Using the DSC method, structural phase transitions have
                      been found at 165 and 219 K for
                      4,4′-di-tert-butyl-2,2′-bipyridyl (dtBBP), whereas for
                      its complex with iodanilic acid (dtBBP·IA), its phase
                      transition is at 331 K. For the other molecular complex
                      described (with bromanilic acid, dtBBP·BRA), no phase
                      transitions have been observed between the liquid nitrogen
                      temperature and the temperature of crystal decomposition.
                      The crystal structures of the neat dtBBP have been
                      determined at 130, 190 and 250 K, whereas for its molecular
                      complex with bromanilic acid (BRA) is determined at 150 K
                      and for its complex with iodanilic acid (IA) determined at
                      293 and 345 K. The crystal structure of neat dtBBP is
                      characterized by layers of molecules, which are grouped by
                      their t-butyls. The structures of dtBBP·BRA and dtBBP·IA
                      are analogous to one another and consist of infinite chains
                      of alternating acid and base molecules linked by hydrogen
                      bonds. On the basis of the structural, dielectric and
                      spectroscopic results (infrared and Raman), the mechanisms
                      of the phase transitions have been proposed for dtBBP and
                      dtBBP·IA. The 1H NMR spin–lattice relaxation times for
                      all compounds under study, as well as the second moment for
                      the neat dtBBP in a wide temperature, have been measured.
                      The anomalies in the temperature dependent infrared spectra
                      together with the NMR results support the supposition that
                      for dtBBP the dynamics of tert-butyl groups is responsible
                      for the mechanism of the phase transitions found. The
                      dynamics of the molecules in the crystals presented is
                      related to the rotation both of the methyl and tert-butyl
                      groups.},
      cin          = {JCNS (München) ; Jülich Centre for Neutron Science JCNS
                      (München) ; JCNS-FRM-II / Neutronenstreuung ; JCNS-1},
      ddc          = {540},
      cid          = {I:(DE-Juel1)JCNS-FRM-II-20110218 /
                      I:(DE-Juel1)JCNS-1-20110106},
      pnm          = {6G15 - FRM II / MLZ (POF3-6G15) / 6G4 - Jülich Centre for
                      Neutron Research (JCNS) (POF3-623)},
      pid          = {G:(DE-HGF)POF3-6G15 / G:(DE-HGF)POF3-6G4},
      experiment   = {EXP:(DE-MLZ)SPHERES-20140101},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000415884400016},
      doi          = {10.1039/C7CE01481C},
      url          = {https://juser.fz-juelich.de/record/840549},
}