Theoretical (DFT) and experimental (Raman and FTIR) spectroscopic study on communic acids, main components of fossil resins

Montoro, O; Tortajada, José Félix Tezanos; Lobato, Álvaro; Baonza, Valentı́n G.; Taravillo, Mercedes

doi:10.1016/j.saa.2019.117405

Cited by 13 publications

(7 citation statements)

References 27 publications

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“…To further study the relationship between the molecular structure and sorption performance, first-principles calculations were employed to explore the relationship at a nanoscale. For these calculations, density functional theory (DFT) was used, − and the molecular structures were based on the results of NMR analysis. To establish the relationship between the molecular structure and analytical properties, it is necessary to perform optimization calculations on the structure.…”

Section: Resultsmentioning

confidence: 99%

“…Density functional theory (DFT) is a quantum mechanical method for studying the distribution of electrons in multielectron systems. 25 , 27 , 28 It uses electron density instead of wave functions as the basic quantity for the study, simplifying the interaction between electrons in multielectron systems. Some scholars have used the DFT method to calculate the ground-state electronic structures of resin molecules.…”

Section: Methodsmentioning

confidence: 99%

“…Density functional theory (DFT) is a quantum mechanical method for studying the distribution of electrons in multielectron systems. ,, It uses electron density instead of wave functions as the basic quantity for the study, simplifying the interaction between electrons in multielectron systems. Some scholars have used the DFT method to calculate the ground-state electronic structures of resin molecules. , In this study, the DMol3 module in Materials Studio (Accelrys) was used for calculation, and the exchange–correlation functional of the calculation process selects the PBE functional under the generalized gradient approximation (GGA).…”

Section: Methodsmentioning

confidence: 99%

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Novel Styrene-Based Polyamine Sorbent for Efficient Selective Separation of Molybdenum

Guo

et al. 2022

ACS Omega

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Tungsten (W) and molybdenum (Mo) are important strategic resources but the two coexist in both primary ore and waste. Before a single metal product is obtained, it is often necessary to separate the two. In this work, we reported two new polyamine resins (D301@PA and D301@TA), which can be obtained by an assembled amine (primary amine or tertiary amine) and traditional D301 resin by the dipping method. Then, the sorption experiments with the amine resins were carried out, and the selectivity and sorption capacity of the two new polyamine resins for MoS 4 2– have been significantly improved. Among them, D301@TA showed the highest sorption capacity of 414 mg·g –1 and a separation factor of 108. Finally, the sorption mechanism can be inferred through scanning electron microscopy (SEM), Brunauer–Emmett–Teller (BET) analysis, and X-ray photoemission spectroscopy (XPS); the Cl – ions in the amine resin and the MoS 4 2– ions were subjected to ion exchange. This work provides a green and efficient approach for separating tungsten and molybdenum.

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Section: Resultsmentioning

confidence: 99%

Section: Methodsmentioning

confidence: 99%

Section: Methodsmentioning

confidence: 99%

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Novel Styrene-Based Polyamine Sorbent for Efficient Selective Separation of Molybdenum

Guo

et al. 2022

ACS Omega

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“…[ 14 ] These results were confirmed through spectroscopic data. The lower intensity of the band at 1,640 cm −1 , ascribed to ν(CC) in nonconjugated CC group, [ 15,16 ] is considered to show the degree of polymerization of a resin [ 7 ] and indirectly indicate aging. [ 13,15,17–19 ]…”

Section: Introductionmentioning

confidence: 99%

“…[14] These results were confirmed through spectroscopic data. The lower intensity of the band at 1,640 cm −1 , ascribed to ν(C C) in nonconjugated C C group, [15,16] is considered to show the degree of polymerization of a resin [7] and indirectly indicate aging. [13,15,[17][18][19] The aspect of aromatization as a consequence of degradation or maturation of the fossil resin is still a subject of discussion, but previous scientific results have confirmed Clifford's findings.…”

Section: Introductionmentioning

confidence: 99%

The surface degradation of Baltic amber: The depth‐profiling analysis and its application to historical object

Ryguła

Klisińska‐Kopacz

Krupska

et al. 2020

J Raman Spectroscopy

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A depth profile‐scanning study of an 18th‐century gun‐powder horn as well as reference Baltic amber samples was performed using a Raman confocal microscope equipped with a 785‐nm laser. It was found that spectra collected from the surface are different than those from the bulk. The main changes are observed in the 1,700–1,400 cm−1 range and are caused by degradation of the amber. The degraded layer was characterized mainly by an increase of the 1,615 cm−1 band ascribed to the ν(CC) characteristic of aromatic rings and a decrease of the 1,645 cm−1 band ascribed to the ν(CC) of nonconjugated structures. The degraded layer is estimated at 100–150 μm, where the spectra gradually resembled the spectrum of nondegraded amber. Analogous changes were observed both for the reference samples and for the abovementioned historical object. The observed spectral changes suggest that this technique could be utilized for studying the degradation of amber artifacts in museum collections.

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The adsorption and separation of tungsten and molybdenum by chitosan and chitosan-D301: Experiments and DFT theoretical calculation

Chen,

Ma,

et al. 2025

Applied Surface Science

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Theoretical (DFT) and experimental (Raman and FTIR) spectroscopic study on communic acids, main components of fossil resins

Cited by 13 publications

References 27 publications

Novel Styrene-Based Polyamine Sorbent for Efficient Selective Separation of Molybdenum

Novel Styrene-Based Polyamine Sorbent for Efficient Selective Separation of Molybdenum

The surface degradation of Baltic amber: The depth‐profiling analysis and its application to historical object

The adsorption and separation of tungsten and molybdenum by chitosan and chitosan-D301: Experiments and DFT theoretical calculation

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