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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

  • Czech description

Classification

  • Type

    J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database

  • CEP classification

  • 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