• Title/Summary/Keyword: Rehm-Weller equation

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Theoretical and quantitative structural relationships of the electrochemical properties of Cis-unsaturated thiocrown ethers and n-type material bulk-heterojunction polymer solar cells as supramolecular complexes [X-UT-Y]@R (R = PCBM, p-EHO-PCBM, and p-EHO-PCBA)

  • Taherpour, Avat Arman;Biuki, Farzaneh
    • Journal of Information Display
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    • v.12 no.3
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    • pp.145-152
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    • 2011
  • Since the discovery of fullerenes as a class of nanostructure compounds, many potential applications have been suggested for their unusual structures and properties. The isolated pentagon rule (IPR) states that all pentagonal carbon rings are isolated in the most stable fullerene. Fullerenes $C_n$ are a class of spherical carbon allotrope group with unique properties. Electron transfer between fullerenes and other molecules is thought to involve the transfer of electrons between the molecules surrounding the fullerene cage. One class of electron transfer molecules is the methanofullerene derivatives ([6,6]-phenyl $C_{61}$-butyric acid methyl ester (PCBM), 4-(2-ethylhexyloxy)-[6,6]-phenyl $C_{61}$-butyric acid methyl ester (p-EHO-PCBM), and 4-(2-ethylhexyloxy)-[6,6]-phenyl $C_{61}$-butyric acid (p-EHO-PCBA), 10-12). It has been determined that $C_{60}$ does not obey IPR. Supramolecular complexes 1-9 and 10-12 are shown to possess a previously unreported host.guest interaction for electron transfer processes. The unsaturated, cis-geometry, thiocrown ethers, (1-9) (described as [X-UT-Y], where X and Y indicate the numbers of carbon and sulfur atoms, respectively), are a group of crown ethers that display interesting physiochemical properties in the light of their conformational restriction compared with a corresponding saturated system, as well as the sizes of their cavities. Topological indices have been successfully used to construct mathematical methods that relate structural data to various chemical and physical properties. To establish a good relationship between the structures of 1-9 with 10-12, a new index is introduced, ${\mu}_{cs}$. This index is the ratio of the sum of the number of carbon atoms ($n_c$) and the number of sulfur atoms ($n_s$) to the product of these two numbers for 1-9. In this study, the relationships between this index and oxidation potential ($^{ox}E_1$) of 1-9, as well as the first to third free energies of electron transfer (${\Delta}G_{et(n)}$, for n = 1-3, which is given by the Rehm-Weller equation) between 1-9 and PCBM, p-EHO-PCBM, and p-EHO-PCBA (10-12) as [X-UT-Y]@R(where R is the adduct PCBM, p-EHO-PCBM, and p-EHO-PCBA group) (13-15) supramolecular complexes are presented and investigated.

The Synthesis of Eu3+ Doped with TiO2 Nano-Powder and Application as a Pesticide Sensor

  • Yao, Fei;Sun, Yang;Tan, Chunlei;Wei, Song;Zhang, Xiaojuan;Hu, Xiaoyun;Fan, Jun
    • Journal of the Korean Chemical Society
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    • v.55 no.6
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    • pp.932-935
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    • 2011
  • Using tetrabutyl titanate as precursor, $Eu^{3+}$ doped $TiO_2$ nano-powder was prepared by sol-gel method, the nature of luminescence of nano-powder was studied. The interaction of chlorpyrifos with $Eu^{3+}$ doped $TiO_2$ was studied by absorption and fluorescence spectroscopy. The results indicated the fluorescence intensity of $Eu^{3+}$ doped $TiO_2$ was quenched by chlorpyrifos and the quenching rate constant ($k_q$) was $1.24{\times}10^{11}\;L/mol{\cdot}s$ according to the Stern-Volmer equation. The dynamics of photoinduced electron transfer from chlorpyrifos to conduction band of $TiO_2$ nanoparticle was observed and the mechanism of electron transfer had been confirmed by the calculation of free energy change (${\Delta}G_{et}$) by applying Rehm-Weller equation as well as energy level diagram. A new rapid method for detection of chlorpyrifos was established according to the fluorescence intensity of $Eu^{3+}$ doped $TiO_2$ was proportional to chlorpyrifos concentration. The range of detection was $5.0{\times}10^{-10}-2.5{\times}10^{-7}mol/L$ and the election limit ($3{\sigma}$) was $3.2{\times}10^{-11}$ mol/L.