Theoretical identification of carbonate geometry in zeolites from IR spectra

Larin, A. V.; Bryukhanov, I. A.; Rybakov, Andrey A.; Kovalev, V. L.; Vercauteren, Daniel P.

doi:10.1016/j.micromeso.2013.02.004

Cited by 12 publications

(22 citation statements)

References 29 publications

(98 reference statements)

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“…3) and earlier approximation lines from Ref. [37] all the carbonates and the hydrogen carbonates are presented and approximated with the correlations of 0.982 4 and 0.744, respectively, in Fig. 3.…”

Section: The Carbonate Geometrymentioning

confidence: 86%

“…The accurate linear correlation between BS and d [37] has been recently shown without essential deviation from planar geometry of CO 3 À2 and from O-C-O angles of 120°. This fitting accuracy relative to d (3) was tested over carbonates but two BS values of hydrogen carbonates in Ref.…”

Section: The Carbonate Geometrymentioning

confidence: 96%

“…Regarding the relation between the geometry of the CO 3 À2 anion expressed via asymmetry parameter d [37]:…”

Section: The Carbonate Geometrymentioning

confidence: 99%

“…where |C-O| aver = (R i = 1-3 |C-O| i )/3, and its band splitting (BS) of valence high frequency (HF) and low frequency (LF) C-O vibrations [37], it signifies that the positions of the predicted HF and LF branches are also different in various forms. The accurate linear correlation between BS and d [37] has been recently shown without essential deviation from planar geometry of CO 3 À2 and from O-C-O angles of 120°.…”

Section: The Carbonate Geometrymentioning

confidence: 99%

“…This fitting accuracy relative to d (3) was tested over carbonates but two BS values of hydrogen carbonates in Ref. [37] have deviated from the correlation ''BS-d'' line. Using these two points (triangles left and right in Fig.…”

Section: The Carbonate Geometrymentioning

confidence: 99%

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Deblocking effect of carbonates and hydrogen carbonates in the alkali form zeolites with narrow pores

Larin

2014

Microporous and Mesoporous Materials

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Section: The Carbonate Geometrymentioning

confidence: 86%

Section: The Carbonate Geometrymentioning

confidence: 96%

“…Regarding the relation between the geometry of the CO 3 À2 anion expressed via asymmetry parameter d [37]:…”

Section: The Carbonate Geometrymentioning

confidence: 99%

Section: The Carbonate Geometrymentioning

confidence: 99%

Section: The Carbonate Geometrymentioning

confidence: 99%

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Deblocking effect of carbonates and hydrogen carbonates in the alkali form zeolites with narrow pores

Larin

2014

Microporous and Mesoporous Materials

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Carbonates in zeolites: Formation, properties, reactivity

Rybakov

Bryukhanov

Larin

et al. 2015

Int. J. Quantum Chem.

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Two possible schemes of carbonate formation (with and without water participation) in cationic form zeolites are considered. Activation energy for the formation of hydrogen carbonate in NaX zeolite from water and carbon dioxide is calculated at the DFT level with periodic boundary conditions, while the problems of modeling the formation of symmetric carbonate in the same zeolite are discussed. The formation of copper carbonate is studied using binuclear CuOCu clusters from CO 2 where the influence of water on the barrier is discussed. The questions related to DFT application to binuclear copper clusters are also considered by comparison with the data obtained at the MP2 level. The reactivity of copper carbonate is tested in the reaction with methanol.

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Green Emission of Tb-doped Mg-Al Layered Double Hydroxide Response to L-lysine

2016

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The paper describes a study on the green emission of a Tb-doped Mg-Al layered double hydroxide (Tb-LDH) response to L-lysine (Lys). Fluorescent study was found that the Tb-LDH exhibited strong green emission due to (5)D4-(7)FJ (J = 5, 6) transition of Tb(3+), and the green emission almost quenched while the Tb-LDH was exposed to 0.01, 0.05, 0.1, 0.25, and 0.5 mol·L(-1) Lys solution, respectively. Meanwhile the emission attributed to Lys markedly increased as the Tb-LDH was exposed to 0.01 and 0.05 mol·L(-1) Lys solution, then decreased as the concentration of Lys solution further increased to 0.5 from 0.05 mol·L(-1). The green emission of Tb-LDH optimal response to Lys happened at 0.05 mol·L(-1) of Lys solution. XRD results revealed that no reflections ascribed to Lys appeared in the composites of Tb-LDH and Lys. IR spectra suggested that the IR spectra of Tb-LDH obviously changed after it was exposed to Lys solution. These results indicated that the green emission of Tb-LDH response to Lys was possibly owing to interaction between the Tb-LDH and Lys. Moreover, this interaction between the Tb-LDH and Lys may be resulted from absorption. The green emission of Tb-LDH response to Lys would be potential application in detecting L-lysine.

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Theoretical identification of carbonate geometry in zeolites from IR spectra

Cited by 12 publications

References 29 publications

Deblocking effect of carbonates and hydrogen carbonates in the alkali form zeolites with narrow pores

Deblocking effect of carbonates and hydrogen carbonates in the alkali form zeolites with narrow pores

Carbonates in zeolites: Formation, properties, reactivity

Green Emission of Tb-doped Mg-Al Layered Double Hydroxide Response to L-lysine

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