Role of tautomerism and solvatochromism in UV-VIS spectra of arylhydrazones of beta-diketones
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60076658%3A12520%2F12%3A43884003" target="_blank" >RIV/60076658:12520/12:43884003 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1016/j.molliq.2012.03.023" target="_blank" >http://dx.doi.org/10.1016/j.molliq.2012.03.023</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.molliq.2012.03.023" target="_blank" >10.1016/j.molliq.2012.03.023</a>
Alternative languages
Result language
angličtina
Original language name
Role of tautomerism and solvatochromism in UV-VIS spectra of arylhydrazones of beta-diketones
Original language description
New arylhydrazones of beta-diketones, 5-chloro-3-(2-(1-ethoxy-1,3-dioxobutan-2-ylidene)hydrazinyl)-2-hydroxybenzenesulfonic acid (1), 3-(2-(1-ethoxy-1,3-dioxobutan-2-ylidene)hydrazinyI)-2-hydroxy-5-nitrobenzenesulfonic acid (2), and 3-(2-(4,4-dimethyl-2,6-dioxocyclohexylidene) hydrazinyI)-2-hydroxy-5-nitrobenzenesulfonic acid (3), have been synthesized and characterized by IR, H-1 and C-13 NMR spectroscopies and elemental analysis. 3 and known 5-(2-(4.4-dimethyl-2,6-dioxocyclohexylidene)hydrazinyl)-4-hydroxybenzene-1,3-disulfonic acid (4) exist in DMSO solution exclusively in the hydrazone form, while 1 and 2 exist in DMSO and H2O solutions as a mixture of enol-azo and hydrazone tautomeric forms, in ratios dependent on the solvent polarity and inductive effect of the substituents. DFT and TDDFT approaches were applied for simulations of experimental UV-VIS absorption spectra of the studied compounds, taking into account solvatochromic as well as tautomeric effect. The performed simulat
Czech name
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Czech description
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Classification
Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
BH - Optics, masers and lasers
OECD FORD branch
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Result continuities
Project
<a href="/en/project/ED2.1.00%2F01.0024" target="_blank" >ED2.1.00/01.0024: South Bohemian Research Center of Aquaculture and Biodiversity of Hydrocenoses</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Others
Publication year
2012
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
JOURNAL OF MOLECULAR LIQUIDS
ISSN
0167-7322
e-ISSN
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Volume of the periodical
171
Issue of the periodical within the volume
05
Country of publishing house
NL - THE KINGDOM OF THE NETHERLANDS
Number of pages
5
Pages from-to
11-15
UT code for WoS article
000306250200003
EID of the result in the Scopus database
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