The design of a bis(1,10-phenanthroline) copper (I) based mechanochromic indicators
Identifikátory výsledku
Kód výsledku v IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22310%2F22%3A43922570" target="_blank" >RIV/60461373:22310/22:43922570 - isvavai.cz</a>
Výsledek na webu
<a href="https://doi.org/10.1021/acsomega.1c05279" target="_blank" >https://doi.org/10.1021/acsomega.1c05279</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1021/acsomega.1c05279" target="_blank" >10.1021/acsomega.1c05279</a>
Alternativní jazyky
Jazyk výsledku
angličtina
Název v původním jazyce
The design of a bis(1,10-phenanthroline) copper (I) based mechanochromic indicators
Popis výsledku v původním jazyce
In the growing field of single molecule mechanochromism, the potential of transition metal complexes have yet to be examined. In this work, we have synthesized a series of [Cu(phen)2]+ complexes: bis-Cu(I)-phenanthroline, bis-Cu(I)-phenanthroline-2-amine, and bis-Cu(I)-phenanthroline-2-acetamide. After which we characterized the complexes by UV-Vis spectroscopy and employed DFT calculations to investigate the changes in UV-Vis upon mechanical pulling via force calculations. The results of our examination of TD-DFT calculated UV-Vis suggests that the bis-Cu(I)-phenanthroline-2-acetamide complex is predicted to have an observable shift of the MLCT band upon pulling from 0 to 0.6 nN in the visible region. We have demonstrated the ability to synthesize and characterize bis-Cu(I)-phenanthroline-2-acetamide. In addition, the TD-DFT calculations predict an observable shift in the visible region of the UV-Vis spectrum. This data indicates that transition metal complexes are feasible candidates as mechanophores and are worthy of further exploration as to their potential role in a new subclass of mechanochromic indicators.
Název v anglickém jazyce
The design of a bis(1,10-phenanthroline) copper (I) based mechanochromic indicators
Popis výsledku anglicky
In the growing field of single molecule mechanochromism, the potential of transition metal complexes have yet to be examined. In this work, we have synthesized a series of [Cu(phen)2]+ complexes: bis-Cu(I)-phenanthroline, bis-Cu(I)-phenanthroline-2-amine, and bis-Cu(I)-phenanthroline-2-acetamide. After which we characterized the complexes by UV-Vis spectroscopy and employed DFT calculations to investigate the changes in UV-Vis upon mechanical pulling via force calculations. The results of our examination of TD-DFT calculated UV-Vis suggests that the bis-Cu(I)-phenanthroline-2-acetamide complex is predicted to have an observable shift of the MLCT band upon pulling from 0 to 0.6 nN in the visible region. We have demonstrated the ability to synthesize and characterize bis-Cu(I)-phenanthroline-2-acetamide. In addition, the TD-DFT calculations predict an observable shift in the visible region of the UV-Vis spectrum. This data indicates that transition metal complexes are feasible candidates as mechanophores and are worthy of further exploration as to their potential role in a new subclass of mechanochromic indicators.
Klasifikace
Druh
J<sub>imp</sub> - Článek v periodiku v databázi Web of Science
CEP obor
—
OECD FORD obor
10403 - Physical chemistry
Návaznosti výsledku
Projekt
<a href="/cs/project/GJ18-17187Y" target="_blank" >GJ18-17187Y: Mechanochemické indikátory</a><br>
Návaznosti
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Ostatní
Rok uplatnění
2022
Kód důvěrnosti údajů
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Údaje specifické pro druh výsledku
Název periodika
ACS Omega
ISSN
2470-1343
e-ISSN
2470-1343
Svazek periodika
7
Číslo periodika v rámci svazku
8
Stát vydavatele periodika
US - Spojené státy americké
Počet stran výsledku
8
Strana od-do
"6510–6517"
Kód UT WoS článku
000758115900001
EID výsledku v databázi Scopus
2-s2.0-85125112699