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

Kód výsledku v 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>

Výsledek na webu

<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>

Jazyk výsledku

angličtina

Název v původním jazyce

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

Popis výsledku v původním jazyce

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.

Název v anglickém jazyce

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

Popis výsledku anglicky

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.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10401 - Organic chemistry

Projekt

—

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2020

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Dyes and pigments

ISSN

0143-7208

e-ISSN

—

Svazek periodika

178

Číslo periodika v rámci svazku

JUL

Stát vydavatele periodika

GB - Spojené království Velké Británie a Severního Irska

Počet stran výsledku

8

Strana od-do

"Article Number 108342"

Kód UT WoS článku

000525304400019

EID výsledku v databázi Scopus

2-s2.0-85081672451