TY  - JOUR
AU  - Sawka-Dobrowolska, W.
AU  - Bator, G.
AU  - Sobczyk, L.
AU  - Grech, E.
AU  - Nowicka-Scheibe, J.
AU  - Pawlukojc, A.
AU  - Wuttke, J.
TI  - The (2:1) complex of picric acid with tetramethylpyrazine. The structure,l IR spectra and tunnel splitting of methyl groups
JO  - Journal of molecular structure
VL  - 975
SN  - 0022-2860
CY  - New York, NY [u.a.]
PB  - Elsevier
M1  - PreJuSER-11791
PY  - 2010
N1  - 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).
AB  - 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.
KW  - J (WoSType)
LB  - PUB:(DE-HGF)16
UR  - <Go to ISI:>//WOS:000280028600045
DO  - DOI:10.1016/j.molstruc.2010.04.041
UR  - https://juser.fz-juelich.de/record/11791
ER  -