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| Home > Publications database > The (2:1) complex of picric acid with tetramethylpyrazine. The structure,l IR spectra and tunnel splitting of methyl groups > print |
| Home > Publications database > The (2:1) complex of picric acid with tetramethylpyrazine. The structure,l IR spectra and tunnel splitting of methyl groups > print |
| 001 | 11791 | ||
| 005 | 20240619092015.0 | ||
| 024 | 7 | _ | |2 DOI |a 10.1016/j.molstruc.2010.04.041 |
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| 041 | _ | _ | |a eng |
| 082 | _ | _ | |a 540 |
| 084 | _ | _ | |2 WoS |a Chemistry, Physical |
| 100 | 1 | _ | |0 P:(DE-HGF)0 |a Sawka-Dobrowolska, W. |b 0 |
| 245 | _ | _ | |a The (2:1) complex of picric acid with tetramethylpyrazine. The structure,l IR spectra and tunnel splitting of methyl groups |
| 260 | _ | _ | |a New York, NY [u.a.] |b Elsevier |c 2010 |
| 336 | 7 | _ | |a Journal Article |0 PUB:(DE-HGF)16 |2 PUB:(DE-HGF) |
| 336 | 7 | _ | |a Output Types/Journal article |2 DataCite |
| 336 | 7 | _ | |a Journal Article |0 0 |2 EndNote |
| 336 | 7 | _ | |a ARTICLE |2 BibTeX |
| 336 | 7 | _ | |a JOURNAL_ARTICLE |2 ORCID |
| 336 | 7 | _ | |a article |2 DRIVER |
| 440 | _ | 0 | |0 7946 |a Journal of Molecular Structure |v 975 |x 0022-2860 |y 1 |
| 500 | _ | _ | |a 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). |
| 520 | _ | _ | |a 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. |
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| 653 | 2 | 0 | |2 Author |a Tetramethylpyrazine-picric acid complex |
| 653 | 2 | 0 | |2 Author |a Hydrogen bond |
| 653 | 2 | 0 | |2 Author |a Infra-red spectra |
| 653 | 2 | 0 | |2 Author |a Tunneling splitting |
| 693 | _ | _ | |0 EXP:(DE-MLZ)SPHERES-20140101 |1 EXP:(DE-MLZ)FRMII-20140101 |5 EXP:(DE-MLZ)SPHERES-20140101 |6 EXP:(DE-MLZ)NL6S-20140101 |a Forschungs-Neutronenquelle Heinz Maier-Leibnitz |e SPHERES: Backscattering spectrometer |f NL6S |x 0 |
| 700 | 1 | _ | |0 P:(DE-HGF)0 |a Bator, G. |b 1 |
| 700 | 1 | _ | |0 P:(DE-HGF)0 |a Sobczyk, L. |b 2 |
| 700 | 1 | _ | |0 P:(DE-HGF)0 |a Grech, E. |b 3 |
| 700 | 1 | _ | |0 P:(DE-HGF)0 |a Nowicka-Scheibe, J. |b 4 |
| 700 | 1 | _ | |0 P:(DE-HGF)0 |a Pawlukojc, A. |b 5 |
| 700 | 1 | _ | |0 P:(DE-Juel1)131044 |a Wuttke, J. |b 6 |u FZJ |
| 773 | _ | _ | |0 PERI:(DE-600)1491504-2 |a 10.1016/j.molstruc.2010.04.041 |g Vol. 975 |q 975 |t Journal of molecular structure |v 975 |x 0022-2860 |y 2010 |
| 856 | 7 | _ | |u http://dx.doi.org/10.1016/j.molstruc.2010.04.041 |
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