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Related Concept Videos

X-ray Crystallography02:18

X-ray Crystallography

23.9K
The size of the unit cell and the arrangement of atoms in a crystal may be determined from measurements of the diffraction of X-rays by the crystal, termed X-ray crystallography.
Diffraction
Diffraction is the change in the direction of travel experienced by an electromagnetic wave when it encounters a physical barrier whose dimensions are comparable to those of the wavelength of the light. X-rays are electromagnetic radiation with wavelengths about as long as the distance between neighboring...
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X-ray Diffraction of Biological Samples01:10

X-ray Diffraction of Biological Samples

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X-ray diffraction or XRD is an analytical tool that utilizes X-rays to study ordered structures such as crystalline organic and inorganic samples, polycrystalline materials, proteins, carbohydrates, and drugs.
According to Bragg's law, when X-rays strike the sample positioned on a stage, the rays are  scattered by the electron clouds around the sample atoms. The  X-ray diffraction or scattering is caused by constructive interference of the X-ray waves that reflect off the internal...
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Crystal Field Theory - Octahedral Complexes02:58

Crystal Field Theory - Octahedral Complexes

26.4K
Crystal Field Theory
To explain the observed behavior of transition metal complexes (such as colors), a model involving electrostatic interactions between the electrons from the ligands and the electrons in the unhybridized d orbitals of the central metal atom has been developed. This electrostatic model is crystal field theory (CFT). It helps to understand, interpret, and predict the colors, magnetic behavior, and some structures of coordination compounds of transition metals.
CFT focuses on...
26.4K
Structures of Solids02:22

Structures of Solids

14.1K
Solids in which the atoms, ions, or molecules are arranged in a definite repeating pattern are known as crystalline solids. Metals and ionic compounds typically form ordered, crystalline solids. A crystalline solid has a precise melting temperature because each atom or molecule of the same type is held in place with the same forces or energy. Amorphous solids or non-crystalline solids (or, sometimes, glasses) which lack an ordered internal structure and are randomly arranged. Substances that...
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Related Experiment Video

Updated: Jun 26, 2025

Quantitative Atomic-Site Analysis of Functional Dopants/Point Defects in Crystalline Materials by Electron-Channeling-Enhanced Microanalysis
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Quantitative Atomic-Site Analysis of Functional Dopants/Point Defects in Crystalline Materials by Electron-Channeling-Enhanced Microanalysis

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Surface Analysis-From Crystal Structures to Particle Properties.

Alexandru A Moldovan1, Andrew G P Maloney1

  • 1The Cambridge Crystallographic Data Centre, 12 Union Road, Cambridge CB2 1EZ, U.K.

Crystal Growth & Design
|May 20, 2024
PubMed
Summary
This summary is machine-generated.

Advanced surface analysis tools quantify particle properties from crystal structures. This aids formulators in predicting particle behavior and reducing development risks.

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Area of Science:

  • Materials Science
  • Chemical Engineering
  • Crystallography

Background:

  • Optimizing formulated products relies on understanding particle surface properties.
  • Current methods often involve costly trial-and-error experimentation.

Purpose of the Study:

  • To present advanced surface analysis tools for particle characterization.
  • To enable data-driven decisions in formulation development.

Main Methods:

  • Utilizing crystallographic data to derive chemical and topological surface information.
  • Employing functional group analysis, roughness calculations, and statistical interaction data.
  • Correlating particle sticking propensity with calculated surface descriptors.

Main Results:

  • Demonstrated direct comparisons of particle surfaces.
  • Linked ibuprofen morphology and sticking propensity to surface properties.
  • Identified the {011} facet's carboxylic acid group as critical for particle behavior and electrostatic potential.

Conclusions:

  • The developed tools provide valuable insights for formulators and particle engineers.
  • Facilitates informed, data-driven decisions to mitigate formulation risks.
  • Represents a significant advancement in understanding particle surfaces and their impact on products.