Czasopismo
Tytuł artykułu
Warianty tytułu
Języki publikacji
Abstrakty
A new method is used for the separation of ethene secondary ozonide (SOZ) from the other products of ethene ozonization reaction. The reaction was performed in the neat films of the reactants at 77 K. Ethene SOZ was separated from other products of the reaction by vacuum distillation at 190–210 K and analyzed by means of the matrix isolation IR absorption spectroscopy. Spectroscopic data from photolysis of the matrix isolated ozonide was used as an argument for assignment of the infrared spectral bands either to ethene SOZ or to other products of the reaction. The spectra of ethene SOZ isolated in the Ar matrix were analyzed by combining experimental results with the theoretical calculations performed at the MP2 6-311+G (3df, 3pd) level. A new assignment of some experimental fundamental bands is proposed taking in to account the Fermi resonance between CH stretch and the five membered ring vibrations. For the first time more than 30 weak infrared absorption bands were observed and assigned to various combination vibrations and overtones. By using new spectral information concerning the overtones and the combination bands it is concluded that the dissociation of unstable ethene SOZ involving breaking of any of the four CO bonds of the five membered ring of ethene SOZ has low probability. Dissociation of the ring starts from breaking of the OO bond. [...]
Słowa kluczowe
Czasopismo
Rocznik
Tom
Numer
Strony
71-86
Opis fizyczny
Daty
wydano
2007-03-01
online
2007-03-01
Twórcy
autor
- Department of General Physics and Spectroscopy, Vilnius University, Vilnius, 01513, Lithuania
autor
- Department of General Physics and Spectroscopy, Vilnius University, Vilnius, 01513, Lithuania
autor
- Department of General Physics and Spectroscopy, Vilnius University, Vilnius, 01513, Lithuania, valdas.sablinskas@ff.vu.lt
Bibliografia
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- [7] U. Samuni and Y. Haas: “An ab-initio study of the normal modes of the primary and secondary ozonides of ethylene”, Spectrochim. Acta, Vol. A 52, (1996), pp. 1479–1492.
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- [12] C.W. Gillies and R.L. Kuczkowski: “Mechanism of ozonolysis. Microwave spectrum, structure, and dipole moment of ethylene ozonide”, J. Amer. Chem. Soc., Vol. 94, (1972), pp. 6337–6343. http://dx.doi.org/10.1021/ja00773a014[Crossref]
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- [16] R. Bariseviciute, J. Ceponkus, A. Gruodis and V. Sablinskas: “Conformational studies of aliphatic secondary ozonides (propene, 1-butene and 1-heptene) by means of FTIR spectroscopy”, Cent. Eur. J. Chem., Vol. 4, (2006), pp. 1–14. http://dx.doi.org/10.2478/s11532-006-0031-3[Crossref]
- [17] V. Sablinskas, F. Hegelund, J. Ceponkus, R. Bariseviciute, V. Aleksa and B. Nelander: “A high resolution FT-IR study of the fundamental bands v7, v8 and v18 of ethene secondary ozonide”, J. Phys. Chem. A, Vol. 109, (2005), pp. 8719–8723. http://dx.doi.org/10.1021/jp051647e[Crossref]
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Typ dokumentu
Bibliografia
Identyfikatory
Identyfikator YADDA
bwmeta1.element.-psjd-doi-10_2478_s11532-006-0073-6