Silver(I)-selective electrodes based on rare earth element double-decker porphyrins

Narender Joon, Jonathan E. Barnsley, Ruiyu Ding, Sunri Lee, Rose-Marie Latonen, Johan Bobacka, Keith C. Gordon, Takuji Ogawa, Grzegorz Lisak*

*Korresponderande författare för detta arbete

Forskningsoutput: TidskriftsbidragArtikelVetenskapligPeer review

10 Citeringar (Scopus)
33 Nedladdningar (Pure)

Sammanfattning

Various double-decker porphyrins accommodating rare earth elements (Sm, Tb, Y) were investigated as ionophores in potentiometric ion sensors. The studied ion-selective electrodes based on double-decker porphyrins were primarily selective to Ag+ ions. The experimentally derived selectivity coefficients were compared to theoretical predictions based on density functional theory (DFT) calculations of the metal-binding energies (Delta E) of double-decker porphyrin-metal ion complexes. Although DFT calculations were performed in vacuo, without taking into account ion-solvent and ion-membrane interactions, this computational approach showed relatively good correlation with the experimentally observed selectivity patterns of the ion-selective electrodes. Thus, DFT calculations were found to be a useful predictive tool when designing new ionophores for ion-selective electrodes.
OriginalspråkEngelska
Artikelnummer127311
Sidor (från-till)
Antal sidor8
TidskriftSensors and Actuators B: Chemical
Volym305
DOI
StatusPublicerad - feb 2020
MoE-publikationstypA1 Tidskriftsartikel-refererad

Nyckelord

  • Double-decker porphyrins
  • Rare earth metals
  • Silver-selective electrodes
  • DFT calculations
  • Potentiometric sensors

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