Vibrational and optical characterization of s-triazine derivatives

Stagi, Luigi; Chiriu, Daniele; Scholz, Marek; Carbonaro, Carlo Maria; Corpino, Riccardo; Porcheddu, Andrea; Rajamaki, Suvi; Cappellini, Giancarlo; Cardia, Roberto; Ricci, Pier Carlo

doi:10.1016/j.saa.2017.04.053

Cited by 20 publications

(21 citation statements)

References 35 publications

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“…Quantum chemistry simulations were carried out by using Gaussian 16 code [40] . The energy calculations of the optimized structures were performed within density functional theory (DFT) with Becke's three parameters and the Lee–Yang–Parr's nonlocal correlation functional (B3LYP) [41–43] . The basis sets for C, N, O, and H were 6‐311G(d,p), whereas the electronic excitation energies were calculated on the basis of the TD‐DFT method.…”

Section: Methodsmentioning

confidence: 99%

“…[40] The energy calculations of the optimized structures were performed within density functional theory (DFT) with Becke'sthree parameters and the Lee-Yang-Parr's nonlocal correlation functional (B3LYP). [41][42][43] The basis sets for C, N, O, and Hw ere 6-311G(d,p), whereas the electronic excitation energies were calculated on the basis of the TD-DFT method. Analysis of frequencies confirms that optimized structures are at am inimum of potential surface, and no imaginary frequencies were obtained.…”

Section: Quantum Chemistry Calculationsmentioning

confidence: 99%

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Polymerization‐Driven Photoluminescence in Alkanolamine‐Based C‐Dots

Ludmerczki

Malfatti

Stagi

et al. 2021

Chemistry A European J

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Carbonized polymer dots (CPDs), a peculiar type of carbon dots, show extremely high quantum yields, making them very attractive nanostructures for application in optics and biophotonics. The origin of the strong photoluminescence of CPDs resides in a complicated interplay of several radiative mechanisms. To understand the correlation between CPD processing and properties, the early stage formation of carbonized polymer dots has been studied. In the synthesis, citric acid monohydrate and 2‐amino‐2‐(hydroxymethyl)propane‐1,3‐diol have been thermally degraded at 180 °C. The use of an oil bath instead of a more traditional hydrothermal reactor has allowed the CPD properties to be monitored at different reactions times. Transmission electron microscopy, time‐resolved photoluminescence, nuclear magnetic resonance, infrared, and Raman spectroscopy have revealed the formation of polymeric species with amide and ester bonds. Quantum chemistry calculations have been employed to investigate the origin of CPD electronic transitions. At short reaction times, amorphous C‐dots with 80 % quantum yield, have been obtained.

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Section: Methodsmentioning

confidence: 99%

Section: Quantum Chemistry Calculationsmentioning

confidence: 99%

Polymerization‐Driven Photoluminescence in Alkanolamine‐Based C‐Dots

Ludmerczki

Malfatti

Stagi

et al. 2021

Chemistry A European J

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“…The XRD patterns of the bulk material and pePhCN present two well-defined and relatively broad diffraction peaks at 13.1 • and 27.6 • related to the interplanar (100) diffraction and the interlayer (002) diffraction of the graphite-like structure of carbon nitride, respectively [43]. The observed peaks in the bulk PhCN indicates that the general 2D structure typical of graphitic-like structures is preserved, but with a smaller distance among the planes (from 3.26 Å to 3.24 Å in g-C 3 N 4 ) due to the presence of the phenyl groups within the PhCN structure [45,46].…”

Section: Resultsmentioning

confidence: 99%

“…Figure 2 shows the Raman spectra of the pure phenyl carbon nitride (black) and the protonated and exfoliated phenyl carbon nitride (blue). The spectrum of the phenyl-triazine presents several bands between 900 and 1800 cm −1 , with prominent peaks at 1601 cm −1 , related to the motion of the phenyl group, and at 1392 cm −1 , assigned to conjugated stretching vibration (C-C) between the phenyl ring and the triazine ring [46]. Other prominent figures are at 1000 cm −1 (breathing mode) and 674 cm −1 , related to NH 2 modes.…”

Section: Resultsmentioning

confidence: 99%

4-Nitrophenol Efficient Photoreduction from Exfoliated and Protonated Phenyl-Doped Graphitic Carbon Nitride Nanosheets

et al. 2021

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The photoreduction of 4-nitrophenol to 4-aminophenol by means of protonated and exfoliated phenyl-doped carbon nitride is reported. Although carbon nitride-based materials have been recognized as efficient photocatalysts, the photoreduction of 4-nitrophenol to 4-aminophenol is not allowed because of the high recombination rate of the photogenerated electron–hole pairs. In this paper, we show the morphology effects on the photoactivity in phenyl-doped carbon nitride. Structural (TEM, XRD, Raman) and optical characterization (absorption, photoluminescence) of the protonated and exfoliated phenyl-doped carbon nitride (hereafter pePhCN) is reported. The increased photocatalytic efficiency, with respect to the bulk material, is underlined by the calculation of the kinetic constant of the photoreduction process (2.78 × 10−1 min−1 and 3.54 × 10−3 min−1) for pePhCN and bulk PhCN, respectively. Finally, the detailed mechanism of the photoreduction process of 4-nitrophenol to 4-aminophenol by modified phenyl carbon nitride is proposed.

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“…2a). The spectrum of the phenyl-triazine presents several bands between 200 and 1600 cm −1 , with prominent peaks at 1601 cm −1 , related to the motion of the phenyl group, and at 1392 cm −1 , assigned to conjugated stretching vibration (CeC) between the phenyl ring and the triazine ring [31]. Other prominent figures are at 1000 cm −1 (breathing mode) and 674 cm −1 , related to NH 2 modes ( Fig.…”

Section: Raman Analysismentioning

confidence: 97%

Come to light: Detailed analysis of thermally treated Phenyl modified Carbon Nitride Polymorphs for bright phosphors in lighting applications

Porcu

Roppolo

Sarais

et al. 2020

Applied Surface Science

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Carbon Nitride and its polymorphs have recently gained large interests for their huge properties and applications in different fields, from lighting to photocatalysis. Further, several attempts were recently devoted to tune and control its optical and electrical properties. In this report we analyze phenyl modified Carbon Nitride structures obtained by simple thermal polymerization at different temperatures (250-400°C) of the starting precursor: 2,4diamino-6-phenyl-1,3,5-triazine. A multi-technique experimental data (XRD patterns, Raman, TGA and DTG, steady-time and time resolved Luminescence, Photoluminescence Excitation spectra, Reflectivity spectra) was applied to analyze the relationship between structural and optical properties and to give more insight on the effect of synthesis procedure on the final polymer. The optical properties evidenced an interesting shift towards the visible region of the absorption spectrum of the phenyl modified g-C 3 N 4 polymer that, associated with the high optical quantum yield (about 60%) and to a broad emission in the green-red spectral region, makes the samples very suitable for lighting applications. Indeed, we report a first prototype of white LED emission by assembly of a commercial blue LED and the Phenyl modified g-C 3 N 4 powders as phosphor, verifying the structural and optical stability over about 10,000 working hours.

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Vibrational and optical characterization of s-triazine derivatives

Cited by 20 publications

References 35 publications

Polymerization‐Driven Photoluminescence in Alkanolamine‐Based C‐Dots

Polymerization‐Driven Photoluminescence in Alkanolamine‐Based C‐Dots

4-Nitrophenol Efficient Photoreduction from Exfoliated and Protonated Phenyl-Doped Graphitic Carbon Nitride Nanosheets

Come to light: Detailed analysis of thermally treated Phenyl modified Carbon Nitride Polymorphs for bright phosphors in lighting applications

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