Principal Components Analysis of Infrared Spectra of Liquid Acetylacetone

• Autorzy: Czarnik-Matusewicz B. , Matusiak-Kucharska M. , Hawranek J. P.
• Języki publikacji: EN

Abstrakty

EN

The spectrum of the absorption index in the Mid-Infrared (MIR) region was determined for intramolecularly hydrogen-bonded liquid acetylacetone from transmission studies. In the MIR region very thin layers with thick nesses of a few micrometers had to be used to obtain reliable data. The keto-enol tautomeric equilibrium in the pure liquid was studied by Principal Components Analysis (PCA) of a set of temperature dependent MIR spectra in the range from 25 to 75 graduate C. Identifications for numerous bands observed in the liquid phase were proposed basing on the results obtained by means of the separation obtained in the loadings plot.

Słowa kluczowe

EN

thin film infrared spectra; acetylacetone; hydrogen bonding; Principal Components Analysis

• Wydawca: Polskie Towarzystwo Chemiczne
• Czasopismo: Polish Journal of Chemistry
• Rocznik: 2009
• Tom: Vol. 83, nr 5
• Strony: 999--1011
• Opis fizyczny: Bibliogr. 39 poz., rys.

Twórcy

autor

Czarnik-Matusewicz B.

autor

Matusiak-Kucharska M.

autor

Hawranek J. P.

• Faculty of Chemistry, University of Wrocław, F. Joliot-Curie 14, 50-383 Wrocław, Poland,

Bibliografia

• 1. Koll A., Int. J. Mol. Sci., 4, 434 (2003).
• 2. Park Y. and Turner C.H., J. Supercrit. Fluids, 37, 201 (2006) and references cited therein.
• 3. Matanovic I. and DoSlić N, Int. J. Quantum Chem., 106, 1367 (2006) and references cited therein.
• 4. Ogoshi H. and Nakamoto K., J. Chem. Phys., 45, 3113 (1966).
• 5. Folkendt M.M., Weiss-Lopez B.E, Chauvel Jr. J.P. and True N.S, J. Phys. Chem., 89, 3347 (1985).
• 6. Chiavassa T, Verlaque P, Pizzala L. and Rubin P, Spectrochim. Acta, 50A, 343 (1994).
• 7. Mavri J. and Grdadolnik J., J. Phys. Chem. A, 105, 2045 (2001).
• 8. Howard D.L., Hydrogen Bonding in the Near Infrared, PhD Thesis, 2006; (http://vi-king.otago.ac.nz/~daryl/mypapers/papers.htm).
• 9. Coussan S., Manca C, Ferro Y. and Rubin P, Chem. Phys. Lett., 370,118 (2003).
• 10. Mohacek-Grosev V, Furić K. and Ivankovic H, J. Phys. Chem. A, 111, 5820 (2007).
• 11. Coussan S, Ferro Y, Trivella A., Rajzmann M, Roubin P., Wieczorek R, Manca C., Piecuch P., Kowalski K, Włoch M., Kucharski S.A. and Musiał M., J. Phys. Chem. A, 110, 3920 (2006).
• 12. Tayyari S.F., Zeegers-Huyskens T. and Wood J.L., Spectrochim. Acta, 35A, 1265 (1979).
• 13. Pocker Y. and Spyridis G.T, J. Am. Chem. Soe, 124,10373 (2002) and references cited therein.
• 14. Alagona G. and Ghio C, Int. J. Quantum Chem., 108, 1841 (2008).
• 15. Ishida T, Hirata F. and Kato S, J. Chem. Phys., 110, 3938 (1999).
• 16. Wrzeszcz W, Muszyński A.S. and Hawranek J.P, Comput. Chem., 22,101 (1998) and references cited therein.
• 17. Hawranek J.P. and Muszyński A.S, Comput. Chem., 22, 95 (1998).
• 18. Bertolasi V, Gilli P., Ferretti V. and Gilli G.J, J. Am. Chem. Soe, 113, 4917 (1991).
• 19. Camerman A., Mastropaolo D. and Camerman N, J. Am. Chem. Soe, 105, 1584 (1983).
• 20. Boese R., Antipin M.Yu, Blaser D. and Lyssenko K.A., J. Phys. Chem B., 102, 8654 (1998).
• 21. Dannenberg J.J. and Rios R., J. Phys. Chem., 98, 6714 (1994).
• 22. Egan W, Gunnarsson G, Bull T.E. and Forsen S., J. Am. Chem. Soe, 99, 4568 (1977).
• 23. Srinivasan R., Feenstra J.S, Park S.T, Xu S. and Zewail A.H., J. Am. Chem. Soe, 126, 2266 (2004).
• 24. Caminati W. and Grabów J.-U, J. Am. Chem. Soe, 128, 854 (2006).
• 25. Chen X.-B, Fang W.-H. and Phillips D.L., J. Phys. Chem. A, 110, 4434 (2006).
• 26. Broadbent S.A., Burns LA, Chatterjee C. and Vaccaro P.H., Chem. Phys. Lett., 434, 31 (2007).
• 27. Matanovic I. and DoSlić N.. J. Phys. Chem. A, 109,4185 (2005).
• 28. Johnson M.R, Jones N.H., Geis A, Horsewill A.J. and Trommsdorff H.P., J. Chem. Phys., 116, 5694 (2002).
• 29. Bumie G., J. Mol. Struct. (THEOCHEM), 808, 167 (2007).
• 30. Tayyari S.F. and Milani-nejad F., Spectrochim. Acta, 56A, 2679 (2000).
• 31. Tayyari S.F, Moosavi-Tekyeh Z, Soltanpour M, Berenji A.R. and Sammelson R.E., J. Mol. Struct., 892, 32 (2008).
• 32. Zundel G.,Adv. Chem. Phys., Ill, 1 (2000).
• 33. Claydon M.F. and SheppardN, Chem. Commun., 1431 (1969).
• 34. http://webbook.nist.gov/cgi/cbook.cgi?ID=C123546&Units=SI&Mask=80#IR-Spec
• 35. Kokot S, Czarnik-Matusewicz B. and Ozaki Y, Biopolymers (Biospectroscopy), 67, 456 (2002).
• 36. Spencer J.N., Holmboe E.S, Kirshenbaum M.R., Firth D.W. and Pinto P.B, Can. J. Chem., 60, 1178 (1982).
• 37. Delchev V.B, Mikosch H. and Nikolov G.St, Monatsh. Chem., 132, 339 (2001).
• 38. Czarnik-Matusewicz B, Kim S.B. and Jung Y.M., J. Phys. Chem. B, 113, 559 (2009).
• 39. ErnstbrunnerE.E, J. Chem. Soc. (A), 1558 (1970).