Vibrational investigation of indigo–palygorskite association(s) in synthetic Maya blue

Tsiantos, Constantinos; Tsampodimou, Maria; Kacandes, George H.; Río, Manuel Sánchez del; Gionis, Vassilis; Chryssikos, Georgios D.

doi:10.1007/s10853-011-6189-x

Cited by 41 publications

(40 citation statements)

References 59 publications

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“…However, other authors did not find that these modes couple with δ(NH) [51]. Recently, near-IR studies have confirmed the coupling of δ(NH) with these bands, in agreement with our calculations [45]. Symmetric coupling of the δ(CH) and δ(NH) modes is observed at 1,544 cm −1 , which is consistent with experimental frequencies [46].…”

Section: Effect Of Adsorption On Vibrational Frequenciessupporting

confidence: 91%

“…First, the frequencies of the normal vibrational modes for an isolated indigo molecule in the gas phase were calculated at the BHandHLYP//6-311G** level and compared with the available experimental data [45]. A linear relationship between the calculated and experimental frequencies was found, with a scale factor of 0.89 (R=0.9991), which indicates that our calculations are consistent with experimental results.…”

Section: Effect Of Adsorption On Vibrational Frequenciessupporting

confidence: 62%

“…However, the LDA method accurately describes the van der Waals attractions, mainly due to error cancellation between the missing electron correlation and short-range overbinding effects [44]. The calculated value is close to the adsorption activation energy (30.4 kcal mol −1 ) obtained experimentally from kinetic studies [45]. For comparison, we included the dispersion forces using the GGA/ PBE-G06 method.…”

Section: Adsorption Energiesmentioning

confidence: 54%

“…That work involves an excellent application of quantum-mechanically calculated frequencies for the assignment of experimental Raman bands. However, taking into account other spectroscopic work on indigo, there are some discrepancies in the band assignments [45]. We calculated the frequencies of the normal vibrational modes of indigo as a molecule and in the adsorption complexes and compared the results with available experimental data.…”

Section: Effect Of Adsorption On Vibrational Frequenciesmentioning

confidence: 99%

“…Calculated (at the BHandHLYP/6-311G** level, using cluster models) and experimental frequencies (in cm −1 ) of the main vibrational modes of indigo and the indigo-phyllosilicate adsorption complexes Experimental data from Tsiantos et al[45] b Calculated at the M05-2X/6-311G** level c Calculated at the DFT/LDA/PWC level d Group oriented towards the mineral surface e From Sánchez del Rio et al[46]; Amat et al[47]; Baran et al[48] f Assigned to δ(NH) + ν(CN)[48] …”

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confidence: 99%

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Indigo adsorption on a silicate surface: a theoretical density functional study

et al. 2014

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The applicability of naturally available low-cost and eco-friendly adsorbent materials for the removal of hazardous dyes from aqueous waste is of increasing environmental interest. Among the adsorption treatments available, clays seem to be economically attractive due to their abundance and adsorption capabilities. Indeed, many ancient coloring materials utilized clays mixed with natural dyes (e.g., indigo in Maya Blue). In this work, we performed a quantum-mechanical theoretical study of the adsorption of the indigo molecule onto the (001) surface of a phyllosilicate. Different methods and approaches were applied and compared. We found that the presence of a tetrahedral charge and a sodium counterion significantly increased the adsorption energy of the indigo molecule. The vibrational spectrum of the dye-surface system was also studied, and some interesting shifts in the frequencies of the main vibrational modes of indigo due to its interaction with the surface of the clay mineral were identified.

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Section: Effect Of Adsorption On Vibrational Frequenciessupporting

confidence: 91%

Section: Effect Of Adsorption On Vibrational Frequenciessupporting

confidence: 62%

Section: Adsorption Energiesmentioning

confidence: 54%

Section: Effect Of Adsorption On Vibrational Frequenciesmentioning

confidence: 99%

mentioning

confidence: 99%

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Indigo adsorption on a silicate surface: a theoretical density functional study

et al. 2014

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Development of the Use of Synchrotron Radiation for the Study of Cultural Heritage Materials

TAMURA,

DEJOIE,

MARTINETTO

2024

Synchrotron Radiation, Cultural Heritage, Biomineralization

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New Hints on the Maya Blue Formation Process by PCA‐Assisted In Situ XRPD/PDF and Optical Spectroscopy

Caliandro

Toson

Palin

et al. 2019

Chemistry A European J

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The exact recipe to prepare the ancient Maya Blue (MB), an incredibly resistant and brilliant pigment prepared from indigo (dye) and Palygorskite (clay), is lost to the ages. To unravel the key features of the MB formation process, several inorganic‐dye couples were heated to 200 °C and cooled to RT, to investigate their reactivity and the diffusion and degree of sequestration of the dye into the inorganic host. In situ XRPD/PDF and fiber optic reflectance spectroscopy (FORS) data, along with TGA, provided a comprehensive overview on MB formation mechanism. XRPD/PDF gave information on long/short range behaviors of water desorption/adsorption and indigo sequestration, while TGA and in situ FORS gave information on mass and optical changes within temperature. Ex situ dye removal was used to understand the sample stability after the thermal treatment. A statistical approach based on principal component analysis was exploited to efficiently and jointly analyze the ≈3000 collected patterns. MB formation starts below 110 °C with disordered distribution of indigo within the channels, reaching maximum reaction speed and higher ordering at 150 °C. Above 175 °C, color changes and a stronger sequestration of indigo into framework channels are observed, whereas the affinity for water is dramatically reduced. The origin of different colors, hues, and stability in historical MB samples can then be explained in terms of different thermal histories of the starting mechanical indigo/palygorskite mixtures.

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Vibrational investigation of indigo–palygorskite association(s) in synthetic Maya blue

Cited by 41 publications

References 59 publications

Indigo adsorption on a silicate surface: a theoretical density functional study

Indigo adsorption on a silicate surface: a theoretical density functional study

Development of the Use of Synchrotron Radiation for the Study of Cultural Heritage Materials

New Hints on the Maya Blue Formation Process by PCA‐Assisted In Situ XRPD/PDF and Optical Spectroscopy

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