Tautomerism of azo dyes in the solid state studied by (15) N, N-14, C-13 and H-1 NMR spectroscopy, X-ray diffraction and quantum-chemical calculations
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F62690094%3A18470%2F20%3A50016710" target="_blank" >RIV/62690094:18470/20:50016710 - isvavai.cz</a>
Result on the web
<a href="https://www.sciencedirect.com/science/article/pii/S0143720820304575" target="_blank" >https://www.sciencedirect.com/science/article/pii/S0143720820304575</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.dyepig.2020.108342" target="_blank" >10.1016/j.dyepig.2020.108342</a>
Alternative languages
Result language
angličtina
Original language name
Tautomerism of azo dyes in the solid state studied by (15) N, N-14, C-13 and H-1 NMR spectroscopy, X-ray diffraction and quantum-chemical calculations
Original language description
The azo-hydrazo tautomerism of four model azo dyes in the solid state is investigated by multinuclear solid-state nuclear magnetic resonance (SS-NMR) spectroscopy, X-ray diffraction and quantum-chemical calculations. The measurement of N-15 SS-NMR spectra is the most straightforward way to determine the tautomeric state of solid azo compounds. Unfortunately, the sensitivity of these nuclei for SS-NMR is very low and the acquisition of N-15 spectra in a reasonable time may be challenging. It is demonstrated that a natural abundance of almost 100% of another nitrogen isotope, N-14, can be exploited for the investigation of the tautomerism. Indirect detection of N-14 nuclei via protons is an elegant approach for the rapid and unequivocal determination of the tautomeric form. Furthermore, a comparison of experimental carbon SS-NMR chemical shifts with those obtained in solution or by quantum-chemical computations can be used for the same purpose.
Czech name
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10401 - Organic chemistry
Result continuities
Project
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Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2020
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Dyes and pigments
ISSN
0143-7208
e-ISSN
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Volume of the periodical
178
Issue of the periodical within the volume
JUL
Country of publishing house
GB - UNITED KINGDOM
Number of pages
8
Pages from-to
"Article Number 108342"
UT code for WoS article
000525304400019
EID of the result in the Scopus database
2-s2.0-85081672451