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000011791 084__ $$2WoS$$aChemistry, Physical
000011791 1001_ $$0P:(DE-HGF)0$$aSawka-Dobrowolska, W.$$b0
000011791 245__ $$aThe (2:1) complex of picric acid with tetramethylpyrazine. The structure,l IR spectra and tunnel splitting of methyl groups
000011791 260__ $$aNew York, NY [u.a.]$$bElsevier$$c2010
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000011791 440_0 $$07946$$aJournal of Molecular Structure$$v975$$x0022-2860$$y1
000011791 500__ $$aThis work was supported by the Polish Ministry of Science and Higher Education (Project Register No. N N204 2497 34). This research project has been supported by the European Commission under the 7th Framework Programme through the Key Action: Strengthening the European Research Area, Research Infrastructures. Contract No. 226507 (NMI3).
000011791 520__ $$aThe 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.
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000011791 65320 $$2Author$$aInfra-red spectra
000011791 65320 $$2Author$$aTunneling splitting
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