Related Experiment Video
Updated: May 22, 2026

Controlling the Size, Shape and Stability of Supramolecular Polymers in Water
Published on: August 2, 2012
Structural change from homogenous structure to staging in benzoic acid intercalated LDH: experimental and molecular
Yanru Zhang1, Hongwei Tan, Jing-xiang Zhao
1College of Chemistry, Beijing Normal University, Beijing 100875, China.
Abstract:
The intercalation the of 4,4'-oxybis(benzoic acid) anion (OBA(2-)) into MgAl-layered double hydroxide (LDH) was carried out in formamide, and the structural change of the nanocomposites from homogenous to staging was investigated through in situ XRD, FT-IR, TG-DSC, SEM and molecular dynamics (MD) simulations. In both formamide and water, the nanocomposites had a homogenous structure with a basal spacing of ∼1.7 nm, showing the configuration of OBA(2-) was vertical to the LDH layers; however, with a decrease in water content after drying, the structure changed to a staging with a basal spacing of 2.62 nm. This resulted from the 1.72 nm phase and another one of 0.85 nm, which was produced by the configuration of OBA(2-) horizontal to the LDH layers. MD simulations revealed that the LDH layers distorted surrounding OBA(2-), and the deformation became more severe with decreasing water content in the interlayer, leading to the staging formation. The simulated XRD pattern confirmed that the staging observed in the experimental pattern was of the Daumas-Hérold type.
More Related Videos
15:05Deciphering the Structural Effects of Activating EGFR Somatic Mutations with Molecular Dynamics Simulation
Published on: May 20, 2020
05:57Synthesizing Amino Acids Modified with Reactive Carbonyls in Silico to Assess Structural Effects Using Molecular Dynamics Simulations
Published on: April 26, 2024
Related Concept Videos
Directing and Steric Effects in Disubstituted Benzene Derivatives
Molecular Models
Structure of Benzene: Kekulé Model
He proposed that benzene has a cyclic structure of six carbon atoms attached to one hydrogen atom each, with three alternating pi bonds.
Regioselectivity and Stereochemistry of Acid-Catalyzed Hydration
Stability of Substituted Cyclohexanes
The two chair conformations of cyclohexanes undergo rapid interconversion at room temperature. Both forms have identical energies and stabilities, each comprising equal amounts of the equilibrium mixture. Replacing a hydrogen atom with a functional group makes the two conformations energetically non-equivalent.
For example, in...
Ladder Diagrams: Complexation Equilibria
The formation constant, K1, for the formation of Cd(NH3)2+ complex from cadmium and ammonia is 3.55 × 102. Log K1 (i.e. pNH3) is 2.55, and...