Interlayer arrangement of hydrated MgAl layered double hydroxides containing guest terephthalate anions: comparison of simulation and measurement

Article Abstract:

A study was conducted to analyze the hydration of MgAl layered double hydroxides supporting an interlayer terephthalate anions and controlled layer charge. Powder x-ry diffraction, thermal gravimmetry and computer simulation were carried out to examine the influence of layer charge density and interlayer water content on the interlayer arrangement. Results indicated that the orientation of the terepthalate anion correlated with the hydroxide layer charge and the interlayer water content of the layered double hydroxides.

Hydration, Rehydration solutions, Hydroxides

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A density functional theory study of catalytic trans-esterification by tert-butoxide MgAl anionic clays

Article Abstract:

The ab-initio plane-wave density functional theory (PW-DFT) are used to investigate prospective solid base catalytic pathways such as MgAl-layered double hydroxides (LDHs) within anionic clays. The hydrophobic nature of the interlayer region in organo-LDHs results in organic substrate molecules with polar functional groups being intercalated in a preferred orientation, facilitating reactions and promoting catalytic behavior.

Science & research, Usage, Chemistry, Physical and theoretical, Physical chemistry, Properties, Structure, Esterification

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Density-functional-theory-based study of the dehydroxylation behavior of aluminous dioctahedral 2:1 layer-type clay minerals

Article Abstract:

A study was conducted, using ab initio methods, to examine the different dehydroxylation mechanisms of cis- and trans-vacant aluminous dioctahedral 2:1-layer-type clay minerals. The result reveals different dehydroxylation behavior for cis- and trans-vacant aluminous dioctahedral 2:1-layer-type clay minerals, and is valid for other aluminous.

Clay, Clay minerals, Chemical properties

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