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On the tautomerism of 1-phenyl-3-substituted-pyrazol-5-ones and their photoinduced products — experimental and theoretical UV spectral analysis
Chapkanov, Atanas G., Koleva, Bojidarka B., Arnaudov, Michail G. and Petkov, Ivan K. On the tautomerism of 1-phenyl-3-substituted-pyrazol-5-ones and their photoinduced products — experimental and theoretical UV spectral analysis Chemical Papers, Vol.62, No. 3, 2008, 294-301
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Document type:
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Článok z časopisu / Journal Article |
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Collection:
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Chemical papers
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| Author(s) |
Chapkanov, Atanas G.
Koleva, Bojidarka B.
Arnaudov, Michail G.
Petkov, Ivan K.
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| Title |
On the tautomerism of 1-phenyl-3-substituted-pyrazol-5-ones and their photoinduced products — experimental and theoretical UV spectral analysis
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| Journal name |
Chemical Papers
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| Publication date |
2008
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| Year available |
2008
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| Volume number |
62
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| Issue number |
3
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| ISSN |
0366-6352
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| Start page |
294
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| End page |
301
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| Place of publication |
Poland
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| Publisher |
Versita
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| Collection year |
2008
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| Language |
english
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| Subject |
250000 Chemical Sciences
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| Abstract/Summary |
A detailed experimental and theoretical UV-spectral analysis of the tautomeric forms of 3-methyl-1-phenyl pyrazol-5-one and 1,3-diphenyl pyrazol-5-one as well as of the UV-irradiated photoinduced products of the latter compound were carried out. The experimental UV-spectra were compared with the theoretical ones obtained by CIS/6-31G**. Selected geometrical parameters of the different tautomers were estimated by ab initio calculations using the RHF/6-31G** level of theory and basis set, which have also been discussed with a view to the corresponding UV-results.
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