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Author: search.filters.author.Chittratan, P.

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    A density functional theory study on the metal binding properties and electronic transitions of dithienopyrole derivatives
    (2014-07-24)
    Thanakit, P.
    ;
    Chittratan, P.
    ;
    Pratontep, S.
    ;
    Sae-Tang Phromyothin, D.
    The metal binding energies and electronic properties of the complexes M-Py1A (M: Cd, Fe, Co, Cu, Hg, Ni, Pb, Zn; Py1A = deprotonated cyanoacetic) were studied using density functional theory (DFT) with B3LYP method. Comparative metal binding energies of metal complexes are as follows: Pb<sup>2+</sup>> Cu<sup>2+</sup>>Ni<sup>2+</sup>>Co<sup>2+</sup>>Fe<sup>2+</sup>> Hg<sup>2+</sup>>Cd<sup>2+</sup>>Zn<sup>2+</sup>. The electronic transitions of Fe, Ni, Co, Zn, Cd, Hg, Cu, and Pb are assigned as LLCT, LLCT, LMCT, LMCT, LMCT/LLCT, MLCT and LMCT, respectively. Solvation effect of Cu-Py1A complex was calculated in gas phase and tetrahydrofuran(THF). The results provide slightly red-shifted spectra from 540 to 541 nm. © 2014 Taylor & Francis Group, LLC.
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    Efficeincy improvement of triphenylamine-based organic dyes in DSSCs, an effects of linker moiety
    (2013-10-29)
    Chittratan, P.
    ;
    Thanakit, P.
    ;
    Jarernboon, W.
    ;
    Phromyothin, D.
    Triphenylamine-base organic dyes were designed and investigated for dye-sensitized solar cells (DSSCs). The dye molecules consist of three parts, an electron-donor connected by the π- conjugated linker (benzene and thiophene) as an electron spacer and an acceptor/anchoring (cyanoacrylic acid). In this study, quantum chemical calculations were used to study the electronic properties, optical properties and density of electron in the linker of dye molecule by using the density functional theory. The results present that thiophene is the most appropriate to use as electron linker between triphenylamine donor and acrylic acceptor due to the wide of absorption band and π-conjugate bond effect on exhibiting red-shifted absorption spectra. © (2013) Trans Tech Publications, Switzerland.
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    A study of fluorescent chemosensor for Fe(II) based on cyanoacrylic derivatives
    (2013-10-29)
    Thanakit, P.
    ;
    Chodjarusawad, T.
    ;
    Chittratan, P.
    ;
    Pratontap, S.
    ;
    Phromyothin, D.
    A chemosensor based on a cyanoacrylic (DTP-C) consists of dithieno [3,2-b;2',3'- d]pyrrole(DTP) as a chromophore and a cyanoacrylic moiety as an ionophore which linked by aromatic system. DTP-C demonstrates the response of complex with Fe(II) in dimethylformamide (DMF) solution. The binding mode of Fe(II)/DTP-C complex was characterized using UV-Visible and fluorescence spectroscopy. In addition, the effect of various MES buffer was then studied at 5%, 10%, 15% and 20% v/v in Fe(II)/DTP-C complex which the appropriate ratiomatric of MES buffer is 10%. The enhancement of Fe(II) concentration indicate a decrease emission intensity while the addition of buffer concentrations found to increase in the intensity. Moreover, quantum chemical calculations were used to study the electronic and optical properties of the molecular structure of DTP-C under the density functional theory. © (2013) Trans Tech Publications, Switzerland.