This title appears in the Scientific Report :
2010
Please use the identifier:
http://dx.doi.org/10.1016/j.molstruc.2010.04.041 in citations.
The (2:1) complex of picric acid with tetramethylpyrazine. The structure,l IR spectra and tunnel splitting of methyl groups
The (2:1) complex of picric acid with tetramethylpyrazine. The structure,l IR spectra and tunnel splitting of methyl groups
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 bro...
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Personal Name(s): | Sawka-Dobrowolska, W. |
---|---|
Bator, G. / Sobczyk, L. / Grech, E. / Nowicka-Scheibe, J. / Pawlukojc, A. / Wuttke, J. | |
Contributing Institute: |
JCNS; JCNS Neutronenstreuung; IFF-5 Streumethoden; IFF-4 |
Published in: | Journal of molecular structure, 975 (2010) |
Imprint: |
New York, NY [u.a.]
Elsevier
2010
|
DOI: |
10.1016/j.molstruc.2010.04.041 |
Document Type: |
Journal Article |
Research Program: |
Integrated Infrastructure Initiative for Neutron Scattering and Muon Spectroscopy Großgeräte für die Forschung mit Photonen, Neutronen und Ionen (PNI) BioSoft: Makromolekulare Systeme und biologische Informationsverarbeitung |
Series Title: |
Journal of Molecular Structure
975 |
Subject (ZB): | |
Publikationsportal JuSER |
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. |