The design of a bis(1,10-phenanthroline) copper (I) based mechanochromic indicators
The result's identifiers
Result code in 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>
Result on the web
<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>
Alternative languages
Result language
angličtina
Original language name
The design of a bis(1,10-phenanthroline) copper (I) based mechanochromic indicators
Original language description
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.
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
10403 - Physical chemistry
Result continuities
Project
<a href="/en/project/GJ18-17187Y" target="_blank" >GJ18-17187Y: Mechanochemical indicators</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Others
Publication year
2022
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
ACS Omega
ISSN
2470-1343
e-ISSN
2470-1343
Volume of the periodical
7
Issue of the periodical within the volume
8
Country of publishing house
US - UNITED STATES
Number of pages
8
Pages from-to
"6510–6517"
UT code for WoS article
000758115900001
EID of the result in the Scopus database
2-s2.0-85125112699