%0 Journal Article
%A Sawka-Dobrowolska, W.
%A Bator, G.
%A Sobczyk, L.
%A Grech, E.
%A Nowicka-Scheibe, J.
%A Pawlukojc, A.
%A Wuttke, J.
%T The (2:1) complex of picric acid with tetramethylpyrazine. The structure,l IR spectra and tunnel splitting of methyl groups
%J Journal of molecular structure
%V 975
%@ 0022-2860
%C New York, NY [u.a.]
%I Elsevier
%M PreJuSER-11791
%D 2010
%Z 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).
%X 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.
%K J (WoSType)
%F PUB:(DE-HGF)16
%9 Journal Article
%U <Go to ISI:>//WOS:000280028600045
%R 10.1016/j.molstruc.2010.04.041
%U https://juser.fz-juelich.de/record/11791