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Papers by Chattarika Sukpattanacharoen
Chiang Mai Journal of Science
A porous membrane-based diffusion scrubber was fabricated to couple with a conductometric detecto... more A porous membrane-based diffusion scrubber was fabricated to couple with a conductometric detector as a fl ow-batch system for determining ammonium in turbid surface waters. A gravity fl ow of DI water as a gas absorbing liquid and a manual sample introduction was employed to develop a cost- effective device without using a conventional pump and an injection valve. The standard calibration graph was linear in the range of 5 – 100 μmol L-1, with a relative standard deviation of < 5%. The detection limit based on the lowest concentration in the calibration graph of 5 μmol L-1 can be obtained. The results of ammonium determination using the proposed method agree well with those using the batch-wise indophenol blue as a standard method. The proposed analytical system provides a cost-effective setup and easy operation for ammonium determination in some turbid surface waters samples without requiring a fi ltering process and conventional glassware.
Chemistry – An Asian Journal
Pt···Pt contacts are more evident in the trimer aggregates rather than in the dimer ones, and esp... more Pt···Pt contacts are more evident in the trimer aggregates rather than in the dimer ones, and especially in the case of the T1 optimized geometries. Esyn and E-EA values indicate a positive synergy between both interactions which is in good agreement with the shortening of the equilibrium distance in T1 state. The EDA reveals that the ∆Etot of trimer Pt1a is controlled by the ∆Eele and ∆Edisp terms.
Advanced Photonics Research, 2021
Journal of Molecular Structure, 2019
The effects of the electron-donating capacity altered by heteroatom substituents on the electroni... more The effects of the electron-donating capacity altered by heteroatom substituents on the electronic structures, photophysical properties, and excited-state intramolecular proton transfer (ESIPT) processes of 3HX analogues (3HF, 3HQ, 3HTF, and 3HSO where X = O, NH, S, and SO 2 , respectively) have been investigated by both static calculations and dynamic simulations using density functional theory (DFT) and time-dependent DFT (TD-DFT) methods at B3LYP/TZVP level for ground state (S 0) and excited-state (S 1), respectively. The static results indicate that the intramolecular hydrogen bonds of all molecules are strengthened in the S 1 , confirmed by the red-shift of IR vibrational spectra and the topology analysis. Heteroatom substitutions cause the red-shift on enol absorption and keto emission spectra of 3HX with relatively larger Stoke shift corresponding to their HOMO−LUMO gaps compared with that of 3HF. Frontier molecular orbitals (MOs) show that upon the photoexcitation, the charge redistribution between the proton donor and proton acceptor groups have induced the ESIPT process. Moreover, the potential energy curves (PECs) of proton transfer (PT) processes of all molecules reveal that the PT processes of all molecules are most likely to proceed in the S 1 state because of low barriers and exothermic reaction. The chance of ESIPT for all molecules is in this order: 3HSO > 3HTF > 3HF > 3HQ. The results of dynamic simulations confirm that the ESIPT processes of all molecules easily occur with the ultrafast time scale (48, 55, 60, 70 fs for 3HSO, 3HTF, 3HF, and 3HQ, respectively). Furthermore, the PT time is anti-correlated with the electronegativity of heteroatoms in 3HX, supported by Mulliken analysis. The ESIPT process of 3HSO is the fastest among 3HX in accordance with its highest intramolecular hydrogen bond strength, lowest PT barrier, and highest exothermic reaction. Nevertheless, after the ESIPT is complete, the twisted structure of 3HSO has initiated the conical intersection, leading to no keto emission observed in the experiment.
Journal of Materials Chemistry C
A new triplet–triplet annihilation-OLED exhibits deep-blue electroluminescence (CIEy ≈ 0.08) with... more A new triplet–triplet annihilation-OLED exhibits deep-blue electroluminescence (CIEy ≈ 0.08) with a narrow full width at half maximum of 59 nm, high external quantum efficiency of 6.43%, low turn-on voltage, and singlet exciton utilization of 38%.
Electronic and optical properties of three new conducting polymer series (S-, O-, N-series) based... more Electronic and optical properties of three new conducting polymer series (S-, O-, N-series) based on oligothiophene, oligofuran, and oligopyrrole ring and their derivatives as an electron donor material in active layer of organic photovoltaic (OPV) devices have been theoretically investigated using density functional theory (DFT) and time-dependent DFT (TDDFT) with the chosen method at B3LYP/6-311+G(d). The key important parameters for designing good donor materials are low energy gap (Egap), suitable ionization potential (IP), suitable electron affinity (EA), highest open-circuit voltage (Voc) as well as long radiative lifetime. Calculated key parameters of investigated polymers were carried out using oligomer approach method. All investigated molecules exhibit low Egap (0.82-3.24 eV). Polypyrrole[3,4-c]pyrrole (PPcP) was found to present the best optimal properties to be used as a donor material due to its lowest Egap (0.82 eV), suitable values of IP and EA. Moreover, a predicted ...
Materials Chemistry Frontiers, 2021
ESIPT derivatives functionalized with N-electron donating moieties show pure keto form emissions ... more ESIPT derivatives functionalized with N-electron donating moieties show pure keto form emissions with high solid-state fluorescence. As emitters, their OLEDs exhibit exceptionally high brightness (41 292–44 820 cd m−2) and high luminous efficiency (8.41–10.30 cd A−1).
The effect of polar solvents (DMSO, CH3OH, and H2O) on possible conformations, photophysical prop... more The effect of polar solvents (DMSO, CH3OH, and H2O) on possible conformations, photophysical properties, and excited-state proton transfer (ESPT) processes of 2-aryl-3-hydroxyquinolone (3HQ) has been theoretically investigated using time-dependent density functional theory at B3LYP/TZVP level both static and dynamic calculations. From exploration of potential energy surfaces, two stable conformers with the lowest energy of 3HQ complexing with solvent molecules are found namely Intra-HB and Inter-HB conformers. Both Intra-HB and Inter-HB conformers are attributed to their enol and keto emission peaks depending on type of solvent used. Based on the results of potential energy curve along PT coordinates, reaction energy of PT, and on-the-fly dynamic simulations, excited-state intramolecular PT processes are possible for all Intra-HB conformers while excited-state intermolecular double PT processes are only plausible for 3HQ(CH3OH)-inter and 3HQ(H2O)-inter but not for 3HQ(DMSO)-inter. M...
Journal of Molecular Structure
Advanced Functional Materials
Chiang Mai Journal of Science
A porous membrane-based diffusion scrubber was fabricated to couple with a conductometric detecto... more A porous membrane-based diffusion scrubber was fabricated to couple with a conductometric detector as a fl ow-batch system for determining ammonium in turbid surface waters. A gravity fl ow of DI water as a gas absorbing liquid and a manual sample introduction was employed to develop a cost- effective device without using a conventional pump and an injection valve. The standard calibration graph was linear in the range of 5 – 100 μmol L-1, with a relative standard deviation of < 5%. The detection limit based on the lowest concentration in the calibration graph of 5 μmol L-1 can be obtained. The results of ammonium determination using the proposed method agree well with those using the batch-wise indophenol blue as a standard method. The proposed analytical system provides a cost-effective setup and easy operation for ammonium determination in some turbid surface waters samples without requiring a fi ltering process and conventional glassware.
Chemistry – An Asian Journal
Pt···Pt contacts are more evident in the trimer aggregates rather than in the dimer ones, and esp... more Pt···Pt contacts are more evident in the trimer aggregates rather than in the dimer ones, and especially in the case of the T1 optimized geometries. Esyn and E-EA values indicate a positive synergy between both interactions which is in good agreement with the shortening of the equilibrium distance in T1 state. The EDA reveals that the ∆Etot of trimer Pt1a is controlled by the ∆Eele and ∆Edisp terms.
Advanced Photonics Research, 2021
Journal of Molecular Structure, 2019
The effects of the electron-donating capacity altered by heteroatom substituents on the electroni... more The effects of the electron-donating capacity altered by heteroatom substituents on the electronic structures, photophysical properties, and excited-state intramolecular proton transfer (ESIPT) processes of 3HX analogues (3HF, 3HQ, 3HTF, and 3HSO where X = O, NH, S, and SO 2 , respectively) have been investigated by both static calculations and dynamic simulations using density functional theory (DFT) and time-dependent DFT (TD-DFT) methods at B3LYP/TZVP level for ground state (S 0) and excited-state (S 1), respectively. The static results indicate that the intramolecular hydrogen bonds of all molecules are strengthened in the S 1 , confirmed by the red-shift of IR vibrational spectra and the topology analysis. Heteroatom substitutions cause the red-shift on enol absorption and keto emission spectra of 3HX with relatively larger Stoke shift corresponding to their HOMO−LUMO gaps compared with that of 3HF. Frontier molecular orbitals (MOs) show that upon the photoexcitation, the charge redistribution between the proton donor and proton acceptor groups have induced the ESIPT process. Moreover, the potential energy curves (PECs) of proton transfer (PT) processes of all molecules reveal that the PT processes of all molecules are most likely to proceed in the S 1 state because of low barriers and exothermic reaction. The chance of ESIPT for all molecules is in this order: 3HSO > 3HTF > 3HF > 3HQ. The results of dynamic simulations confirm that the ESIPT processes of all molecules easily occur with the ultrafast time scale (48, 55, 60, 70 fs for 3HSO, 3HTF, 3HF, and 3HQ, respectively). Furthermore, the PT time is anti-correlated with the electronegativity of heteroatoms in 3HX, supported by Mulliken analysis. The ESIPT process of 3HSO is the fastest among 3HX in accordance with its highest intramolecular hydrogen bond strength, lowest PT barrier, and highest exothermic reaction. Nevertheless, after the ESIPT is complete, the twisted structure of 3HSO has initiated the conical intersection, leading to no keto emission observed in the experiment.
Journal of Materials Chemistry C
A new triplet–triplet annihilation-OLED exhibits deep-blue electroluminescence (CIEy ≈ 0.08) with... more A new triplet–triplet annihilation-OLED exhibits deep-blue electroluminescence (CIEy ≈ 0.08) with a narrow full width at half maximum of 59 nm, high external quantum efficiency of 6.43%, low turn-on voltage, and singlet exciton utilization of 38%.
Electronic and optical properties of three new conducting polymer series (S-, O-, N-series) based... more Electronic and optical properties of three new conducting polymer series (S-, O-, N-series) based on oligothiophene, oligofuran, and oligopyrrole ring and their derivatives as an electron donor material in active layer of organic photovoltaic (OPV) devices have been theoretically investigated using density functional theory (DFT) and time-dependent DFT (TDDFT) with the chosen method at B3LYP/6-311+G(d). The key important parameters for designing good donor materials are low energy gap (Egap), suitable ionization potential (IP), suitable electron affinity (EA), highest open-circuit voltage (Voc) as well as long radiative lifetime. Calculated key parameters of investigated polymers were carried out using oligomer approach method. All investigated molecules exhibit low Egap (0.82-3.24 eV). Polypyrrole[3,4-c]pyrrole (PPcP) was found to present the best optimal properties to be used as a donor material due to its lowest Egap (0.82 eV), suitable values of IP and EA. Moreover, a predicted ...
Materials Chemistry Frontiers, 2021
ESIPT derivatives functionalized with N-electron donating moieties show pure keto form emissions ... more ESIPT derivatives functionalized with N-electron donating moieties show pure keto form emissions with high solid-state fluorescence. As emitters, their OLEDs exhibit exceptionally high brightness (41 292–44 820 cd m−2) and high luminous efficiency (8.41–10.30 cd A−1).
The effect of polar solvents (DMSO, CH3OH, and H2O) on possible conformations, photophysical prop... more The effect of polar solvents (DMSO, CH3OH, and H2O) on possible conformations, photophysical properties, and excited-state proton transfer (ESPT) processes of 2-aryl-3-hydroxyquinolone (3HQ) has been theoretically investigated using time-dependent density functional theory at B3LYP/TZVP level both static and dynamic calculations. From exploration of potential energy surfaces, two stable conformers with the lowest energy of 3HQ complexing with solvent molecules are found namely Intra-HB and Inter-HB conformers. Both Intra-HB and Inter-HB conformers are attributed to their enol and keto emission peaks depending on type of solvent used. Based on the results of potential energy curve along PT coordinates, reaction energy of PT, and on-the-fly dynamic simulations, excited-state intramolecular PT processes are possible for all Intra-HB conformers while excited-state intermolecular double PT processes are only plausible for 3HQ(CH3OH)-inter and 3HQ(H2O)-inter but not for 3HQ(DMSO)-inter. M...
Journal of Molecular Structure
Advanced Functional Materials