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@ARTICLE{Bator:279711,
      author       = {Bator, G. and Rok, M. and Sawka-Dobrowolska, W. and
                      Sobczyk, L. and Zamponi, M. and Pawlukojć, A.},
      title        = {p-{N},{N}′-tetraacetylodiaminodurene. {T}he structure and
                      vibrational spectra},
      journal      = {Chemical physics},
      volume       = {459},
      issn         = {0301-0104},
      address      = {Amsterdam [u.a.]},
      publisher    = {Elsevier Science},
      reportid     = {FZJ-2015-07593},
      pages        = {148 - 154},
      year         = {2015},
      abstract     = {The crystal and molecular structure of
                      p-N,N′-tetraacetylodiaminodurene (TADD) is reported based
                      on the X-ray diffraction studies. The N-acetyl moieties are
                      planar and all N-acetyl groups are perpendicular to the ring
                      plane. Methyl groups both of acetyl moieties and of durene
                      form a number of non-conventional hydrogen bonds with
                      nitrogen and oxygen atoms. The vibrational spectra very well
                      reflect the structure of molecules and their contacts. They
                      are compared with calculated data by using various
                      theoretical approaches. The neutron scattering spectra show
                      two tunnel lines of low energy values (at ±0.9 and ±2.3
                      μeV at 4 K), which can be ascribed to methyl groups of
                      N-acetyl moieties, which behave more freely than those
                      attached to the phenyl ring.},
      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:000361453500020},
      doi          = {10.1016/j.chemphys.2015.08.005},
      url          = {https://juser.fz-juelich.de/record/279711},
}