Structure and Vibrational Spectra of the 1:1 Squaric Acid (H2SQ) – Tetramethylpyrazine (TMP) Adduct

• Autorzy: Nowicka-Scheibe J. , Grech E. , Sawka-Dobrowolska W. , Bator G. , Sobczyk L.
• Języki publikacji: EN

Abstrakty

EN

The crystal structure of the title complex was determined at 100 K by X-ray diffraction. It consists of double ionized dimeric (HSQ)2 2 species and protoned TMPH+ cations. Strong charge assisted (OHO)– and (NHO)+ hydrogen bonds are the main factor of crystal packing. A wealth of unconventional C–HO and C–HN relatively short bridges should be emphasized. Particularly important are the latter ones binding two adjacent TMPH+ cations. The structure is well manifested in the IR and Raman spectra, particularly in the region of (OH) and (NH) as well as of (C=O) frequencies. The complexation of TMPleads to a marked change in the low and high frequency vibrations of the methyl groups. An anomaly on the DSC runs has been found at 163/175 K (cooling/ heating) which can be assigned to the freezing of the methyl group rotations. No change of the crystal symmetry is observed at this temperature.

Słowa kluczowe

EN

squaric acid; tetramethylpyrazine; crystal structure; vibrational spectra

• Wydawca: Polskie Towarzystwo Chemiczne
• Czasopismo: Polish Journal of Chemistry
• Rocznik: 2007
• Tom: Vol. 81, nr 5-6
• Strony: 643--652
• Opis fizyczny: Bibliogr. 24 poz., rys.

Twórcy

autor

Nowicka-Scheibe J.

autor

Grech E.

autor

Sawka-Dobrowolska W.

autor

Bator G.

autor

Sobczyk L.

• Institute of Chemistry and Environmental Protection, Szczecin University of Technology, Al. Piastów 12, 71-065 Szczecin, Poland

Bibliografia

• 1. Feder J., The Structural Phase Transition and Dielectric Properties of Squaric Acid, in: R. West (Ed.) Oxocarbons, Academic Press, NY 1980, p. 141.
• 2. Wang Y., Williams J. and Stucky G.D., J. Chem. Soc. Dalton Trans., 35 (1974).
• 3. Semmingsen D., Hollander F.J. and Koetzle T.F., J. Chem. Phys., 66,4405 (1977).
• 4. Gilli G., Bertolasi V., Gilli P. and Ferretti V., Acta Cryst., B57, 859 (2001) and literature cited therein.
• 5. Zaman M.B., Tomura M. and Yamashita Y, Acta Cryst., C57, 621 (2001).
• 6. Mattes R., Ebbing J., Griiss A., Kóppe J. and Majcher K., Z. Naturforsch., 58b, 27 (2003).
• 7. Kolev T., Glavcheva Z., Petrova R. and Angelova O., Acta Cryst., C56, 110 (2000).
• 8. Wang Y. and Stucky G.D., J. Chem. Soc. Perkin II, 925 (1974).
• 9. Bouma B., Koouman H., Kroon J., Grech E. and Brzeziński B., Acta Cryst., C55, 1824 (1999).
• 10. Kolev T., Wortmann R., Spiteller M., Sheldrick W. and Mayer-Figge H.,Acta Cryst., E60,1449(2004).
• 11. Palomar J., Klymachyoy A.N., Panizian D. and Dalal N.S., J. Phys. Chem., A105, 8926 (2001).
• 12. Otsuka T., Okuno T., Awaga K. and Inabe T., J. Mater. Chem., 8, 1157 (1998).
• 13. Baglin F.G. and Rose C.B., Spectrochim. Acta, A26, 2293 (1969).
• 14. Semmingsen D. and Feder J., Solid State Commun., 15,1369 (1974).
• 15. Bougeard D. and Novak A., Solid State Commun., 27, 453 (1978).
• 16. Lunelli B., Giorgini M.G., Negri F. and Orlandi G., J. Mol. Struct., 268, 23 (1992).
• 17. Lopes J.G.S., de Oliveira L.F.C. and Santos P.S., Spectrochim. Acta, A5f, 399 (2001).
• 18. Yamamura S., Sugawara Y, Terao H., Matsushita M.M. and Sugawara T., Chem. Phys., 322,392 (2006).
• 19. Sawka-Dobrowolska W., Bator G., Sobczyk L., Grech E., Nowicka-Seheibe J, and Pawlukojč A., Struct. Chem., 16, 287 (2005).
• 20. Prager M., Pawlukojč A., Sobczyk L., Grech E. and Grimm M., J. Phys. Condens. Matter., 17, 5725 (2005).
• 21. Sheldrick G.M., SHELXS-97, Program for Solution of CrystalStructure, University of Göttingen,Germany, 1997.
• 22. Sheldrick G.M., SHELXL-97, Program for Structure Refirement of Crystal Structure, University of Götingen, Germany 1997.
• 23. Denisov G.S., Mavri J. and Sobczyk L., Potential energy shape for the proton motion in hydrogen bonds reflected m infrared and NMR spectra, in: Hydrogen Bonding - New Insights (S. Grabowski Ed) Springer, Dordrecht, 2006, p. 377-416.
• 24. Stare J. and Mavri J., Comput. Phys. Commun., 143, 222 (2002).