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Papers by Chattarika Sukpattanacharoen

Research paper thumbnail of Synergistic Effect of Silanols in Mesopores Leading to Unexpected Catalysis of Dendritic Mesoporous Silica Particles in the Aqueous-Phase Synthesis of 5-Hydroxymethylfurfural from Fructose

Research paper thumbnail of CCDC 2059960: Experimental Crystal Structure Determination

Research paper thumbnail of CCDC 2059959: Experimental Crystal Structure Determination

Research paper thumbnail of CCDC 1967832: Experimental Crystal Structure Determination

Research paper thumbnail of CCDC 1962656: Experimental Crystal Structure Determination

Research paper thumbnail of Conductometric Determination of Ammonium in Turbid Water with a Flow-batch Porous Membrane-based Diff usion Scrubber System

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.

Research paper thumbnail of Hydroxy‐Tetraphenylimidazole Derivatives as Efficient Blue Emissive Materials for Electroluminescent Devices

Chemistry – An Asian Journal

Research paper thumbnail of Cooperativity in non-covalent metallophilic Pt···Pt interaction of aggregated square-planar Pt(II) complexes bearing isoquinolinyl pyrazole: Theoretical insights

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.

Research paper thumbnail of Solid‐State Fluorophores with Combined Excited‐State Intramolecular Proton Transfer‐Aggregation‐Induced Emission as Efficient Emitters for Electroluminescent Devices

Advanced Photonics Research, 2021

Research paper thumbnail of Heteroatom substitution effect on electronic structures, photophysical properties, and excited-state intramolecular proton transfer processes of 3-hydroxyflavone and its analogues: A TD-DFT study

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.

Research paper thumbnail of Deep-blue high-efficiency triplet–triplet annihilation organic light-emitting diodes using hydroxyl-substituted tetraphenylimidazole-functionalized anthracene fluorescent emitters

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%.

Research paper thumbnail of Electronic and optical properties of oligothiophene , oligofuran , oligopyrrole and their derivatives for organic photovoltaic ( OPV ) applications : a DFT study

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 ...

Research paper thumbnail of Self-absorption-free excited-state intramolecular proton transfer (ESIPT) emitters for high brightness and luminous efficiency organic fluorescent electroluminescent devices

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).

Research paper thumbnail of Theoretical insights of solvent effect on excited-state proton transfers of 2-aryl-3-hydroxyquinolone

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...

Research paper thumbnail of Heteroatom substitution effect on electronic structures, photophysical properties, and excited-state intramolecular proton transfer processes of 3-hydroxyflavone and its analogues: A TD-DFT study

Journal of Molecular Structure

Research paper thumbnail of Formation of Excimers in Isoquinolinyl Pyrazolate Pt(II) Complexes: Role of Cooperativity Effects

Research paper thumbnail of A Solid-State Luminescent Cd(II) Supramolecular Coordination Framework Based on Mixed Luminophores as a Sensor for Discriminatively Selective Detection of Amine Vapors

Research paper thumbnail of Modulation of Solid‐State Aggregation of Square‐Planar Pt(II) Based Emitters: Enabling Highly Efficient Deep‐Red/Near Infrared Electroluminescence

Advanced Functional Materials

Research paper thumbnail of Synergistic Effect of Silanols in Mesopores Leading to Unexpected Catalysis of Dendritic Mesoporous Silica Particles in the Aqueous-Phase Synthesis of 5-Hydroxymethylfurfural from Fructose

Research paper thumbnail of CCDC 2059960: Experimental Crystal Structure Determination

Research paper thumbnail of CCDC 2059959: Experimental Crystal Structure Determination

Research paper thumbnail of CCDC 1967832: Experimental Crystal Structure Determination

Research paper thumbnail of CCDC 1962656: Experimental Crystal Structure Determination

Research paper thumbnail of Conductometric Determination of Ammonium in Turbid Water with a Flow-batch Porous Membrane-based Diff usion Scrubber System

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.

Research paper thumbnail of Hydroxy‐Tetraphenylimidazole Derivatives as Efficient Blue Emissive Materials for Electroluminescent Devices

Chemistry – An Asian Journal

Research paper thumbnail of Cooperativity in non-covalent metallophilic Pt···Pt interaction of aggregated square-planar Pt(II) complexes bearing isoquinolinyl pyrazole: Theoretical insights

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.

Research paper thumbnail of Solid‐State Fluorophores with Combined Excited‐State Intramolecular Proton Transfer‐Aggregation‐Induced Emission as Efficient Emitters for Electroluminescent Devices

Advanced Photonics Research, 2021

Research paper thumbnail of Heteroatom substitution effect on electronic structures, photophysical properties, and excited-state intramolecular proton transfer processes of 3-hydroxyflavone and its analogues: A TD-DFT study

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.

Research paper thumbnail of Deep-blue high-efficiency triplet–triplet annihilation organic light-emitting diodes using hydroxyl-substituted tetraphenylimidazole-functionalized anthracene fluorescent emitters

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%.

Research paper thumbnail of Electronic and optical properties of oligothiophene , oligofuran , oligopyrrole and their derivatives for organic photovoltaic ( OPV ) applications : a DFT study

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 ...

Research paper thumbnail of Self-absorption-free excited-state intramolecular proton transfer (ESIPT) emitters for high brightness and luminous efficiency organic fluorescent electroluminescent devices

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).

Research paper thumbnail of Theoretical insights of solvent effect on excited-state proton transfers of 2-aryl-3-hydroxyquinolone

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...

Research paper thumbnail of Heteroatom substitution effect on electronic structures, photophysical properties, and excited-state intramolecular proton transfer processes of 3-hydroxyflavone and its analogues: A TD-DFT study

Journal of Molecular Structure

Research paper thumbnail of Formation of Excimers in Isoquinolinyl Pyrazolate Pt(II) Complexes: Role of Cooperativity Effects

Research paper thumbnail of A Solid-State Luminescent Cd(II) Supramolecular Coordination Framework Based on Mixed Luminophores as a Sensor for Discriminatively Selective Detection of Amine Vapors

Research paper thumbnail of Modulation of Solid‐State Aggregation of Square‐Planar Pt(II) Based Emitters: Enabling Highly Efficient Deep‐Red/Near Infrared Electroluminescence

Advanced Functional Materials