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@ARTICLE{SawkaDobrowolska:11791,
      author       = {Sawka-Dobrowolska, W. and Bator, G. and Sobczyk, L. and
                      Grech, E. and Nowicka-Scheibe, J. and Pawlukojc, A. and
                      Wuttke, J.},
      title        = {{T}he (2:1) complex of picric acid with
                      tetramethylpyrazine. {T}he structure,l {IR} spectra and
                      tunnel splitting of methyl groups},
      journal      = {Journal of molecular structure},
      volume       = {975},
      issn         = {0022-2860},
      address      = {New York, NY [u.a.]},
      publisher    = {Elsevier},
      reportid     = {PreJuSER-11791},
      year         = {2010},
      note         = {This work was supported by the Polish Ministry of Science
                      and Higher Education (Project Register No. N N204 2497 34).
                      This research project has been supported by the European
                      Commission under the 7th Framework Programme through the Key
                      Action: Strengthening the European Research Area, Research
                      Infrastructures. Contract No. 226507 (NMI3).},
      abstract     = {The crystal structure of 2:1 picric acid (PAH) with
                      tetramethylpyrazine (TMP) was determined by using X-ray
                      diffraction studies. Two equivalent N+-H center dot center
                      dot center dot O- hydrogen bonds are formed with the length
                      of 2.601 angstrom (calculated 2.640 angstrom). In the IR
                      spectra very broad doublet at ca. 2000 and 2400 cm(-1) is
                      observed, which can be interpreted as due to symmetric and
                      asymmetric N+-H vibrations. In neutron backscattering two
                      tunnel splittings are observed, in agreement with the
                      symmetry of 2:1 assemblies. At 4 K the tunnel peaks are
                      located at 3.17 and 4.24 mu eV. (C) 2010 Elsevier B.V. All
                      rights reserved.},
      keywords     = {J (WoSType)},
      cin          = {IFF-4 / IFF-5 / Jülich Centre for Neutron Science JCNS
                      (JCNS) ; JCNS},
      ddc          = {540},
      cid          = {I:(DE-Juel1)VDB784 / I:(DE-Juel1)VDB785 /
                      I:(DE-Juel1)JCNS-20121112},
      pnm          = {BioSoft: Makromolekulare Systeme und biologische
                      Informationsverarbeitung / Großgeräte für die Forschung
                      mit Photonen, Neutronen und Ionen (PNI) / NMI3 - Integrated
                      Infrastructure Initiative for Neutron Scattering and Muon
                      Spectroscopy (226507)},
      pid          = {G:(DE-Juel1)FUEK505 / G:(DE-Juel1)FUEK415 /
                      G:(EU-Grant)226507},
      experiment   = {EXP:(DE-MLZ)SPHERES-20140101},
      shelfmark    = {Chemistry, Physical},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000280028600045},
      doi          = {10.1016/j.molstruc.2010.04.041},
      url          = {https://juser.fz-juelich.de/record/11791},
}