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Abstract
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In the present paper, successful preparation of ZnAl layered double hydroxides (LDHs) containing bistetrazole
anions with both typical and interstratified arrangements is reported. The mechanism of the
single-anion interstratified arrangement remains a long-standing and overwhelming challenge in the
chemistry of LDHs. To address this issue, the arrangement of layers, the positioning of anions in the interlayer
space, and the cationic ratio of layers were studied by the application of a series of laboratory
methods including X-ray diffraction (XRD), thermal analyses (TGA, DTG, and DTA), elemental analysis
(CHN), and energy dispersive X-ray (EDX) methods, together with computer simulations performed by
using Dmol3, Forcite, and Reflex modules. The obtained information demonstrated the dependence of
interstratification on the type, size, and charge distribution of the intercalated anions, and the cationic
ratio of the LDH layers. At the end, a new comprehensive mechanism is proposed for single-anion interstratification
in layered double hydroxides by considering the results of this research study and other
related works.
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