Jove
Visualize
Contact Us
JoVE
x logofacebook logolinkedin logoyoutube logo
ABOUT JoVE
OverviewLeadershipBlogJoVE Help Center
AUTHORS
Publishing ProcessEditorial BoardScope & PoliciesPeer ReviewFAQSubmit
LIBRARIANS
TestimonialsSubscriptionsAccessResourcesLibrary Advisory BoardFAQ
RESEARCH
JoVE JournalMethods CollectionsJoVE Encyclopedia of ExperimentsArchive
EDUCATION
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab ManualFaculty Resource CenterFaculty Site
Terms & Conditions of Use
Privacy Policy
Policies

Related Concept Videos

Determination of Crystal Structures01:29

Determination of Crystal Structures

126
In the late 1800s, the revelation that light extended beyond visible wavelengths led to the discovery of X-rays by Wilhelm Roentgen. Recognized as high-energy electromagnetic radiation with short wavelengths, X-rays prompted exploration into their interaction with crystals. Max von Laue proposed in 1912 that the periodic arrangement of atoms, ions, or molecules in crystals would cause them to diffract X-rays, a hypothesis confirmed through experiments with copper sulfate and zinc sulfide...
126
Ionic Crystal Structures02:42

Ionic Crystal Structures

21.8K
Ionic crystals consist of two or more different kinds of ions that usually have different sizes. The packing of these ions into a crystal structure is more complex than the packing of metal atoms that are the same size.
Most monatomic ions behave as charged spheres, and their attraction for ions of opposite charge is the same in every direction. Consequently, stable structures for ionic compounds result (1) when ions of one charge are surrounded by as many ions as possible of the opposite...
21.8K
Structures of Solids02:22

Structures of Solids

22.6K
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...
22.6K
Crystal Field Theory - Octahedral Complexes02:58

Crystal Field Theory - Octahedral Complexes

32.3K
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...
32.3K
Crystal Field Theory - Tetrahedral and Square Planar Complexes02:46

Crystal Field Theory - Tetrahedral and Square Planar Complexes

50.2K
Tetrahedral Complexes
Crystal field theory (CFT) is applicable to molecules in geometries other than octahedral. In octahedral complexes, the lobes of the dx2−y2 and dz2 orbitals point directly at the ligands. For tetrahedral complexes, the d orbitals remain in place, but with only four ligands located between the axes. None of the orbitals points directly at the tetrahedral ligands. However, the dx2−y2 and dz2 orbitals (along the Cartesian axes) overlap with the ligands less than...
50.2K
X-ray Crystallography02:18

X-ray Crystallography

27.2K
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...
27.2K

You might also read

Related Articles

Articles linked to this work by shared authors, journal, and citation graph.

Sort by
Same author

Unveiling distinct hydrogen-bonding mechanisms: A catechol-derived probe for selective cyanide and fluoride detection.

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy·2025
Same author

High-entropy oxide nanostructures for rapid and sustainable nitrophenol reduction.

Nanoscale·2025
Same author

Deploying Soft Drugs in the Fight against MRSA with Detailed Biological Evaluation of 4-(<i>n</i>-Alkoxy)-phenoxy Betaine Amphiphiles Active against MDR <i>Staphylococcus aureus</i> and <i>Enterococcus</i> sp.

ACS infectious diseases·2025
Same author

Is a data deluge dampening our idea generation capability?

Innovation (Cambridge (Mass.))·2025
Same author

MOF-derived Fe-doped δ-MnO<sub>2</sub> nanoflowers as oxidase mimics: chromogenic sensing of Hg(II) and hydroquinone in aqueous media.

Dalton transactions (Cambridge, England : 2003)·2025
Same author

Upconverting Luminescent MOF for Highly Sensitive Dual-Mode Recognition of Synthetic Dyes.

Inorganic chemistry·2024

Related Experiment Video

Updated: Apr 20, 2026

A Protocol for Computer-Based Protein Structure and Function Prediction
16:41

A Protocol for Computer-Based Protein Structure and Function Prediction

Published on: November 3, 2011

70.2K

Crystal structure and prediction.

Tejender S Thakur1, Ritesh Dubey, Gautam R Desiraju

  • 1Molecular and Structural Biology Division, CSIR-Central Drug Research Institute, Lucknow 226 031, India.

Annual Review of Physical Chemistry
|November 26, 2014
PubMed
Summary

Understanding crystal structure prediction is key in chemistry. While determining crystal structures is easier now, predicting them computationally remains a significant challenge, impacting various applications.

Keywords:
atom-atom potentialscrystal engineeringcrystallizationlandscapepolymorphismprotein foldingsupramolecular synthon

More Related Videos

Combining Wet and Dry Lab Techniques to Guide the Crystallization of Large Coiled-coil Containing Proteins
11:14

Combining Wet and Dry Lab Techniques to Guide the Crystallization of Large Coiled-coil Containing Proteins

Published on: January 6, 2017

8.5K
X-Ray Crystallography to Study the Oligomeric State Transition of the Thermotoga maritima M42 Aminopeptidase TmPep1050
11:27

X-Ray Crystallography to Study the Oligomeric State Transition of the Thermotoga maritima M42 Aminopeptidase TmPep1050

Published on: May 13, 2020

4.5K

Related Experiment Videos

Last Updated: Apr 20, 2026

A Protocol for Computer-Based Protein Structure and Function Prediction
16:41

A Protocol for Computer-Based Protein Structure and Function Prediction

Published on: November 3, 2011

70.2K
Combining Wet and Dry Lab Techniques to Guide the Crystallization of Large Coiled-coil Containing Proteins
11:14

Combining Wet and Dry Lab Techniques to Guide the Crystallization of Large Coiled-coil Containing Proteins

Published on: January 6, 2017

8.5K
X-Ray Crystallography to Study the Oligomeric State Transition of the Thermotoga maritima M42 Aminopeptidase TmPep1050
11:27

X-Ray Crystallography to Study the Oligomeric State Transition of the Thermotoga maritima M42 Aminopeptidase TmPep1050

Published on: May 13, 2020

4.5K

Area of Science:

  • Chemistry
  • Solid-state chemistry
  • Crystallography

Background:

  • The concept of molecular structure is fundamental to chemistry.
  • Advances in X-ray diffraction enable detailed crystal structure determination.
  • Large datasets of known crystal structures are now available.

Purpose of the Study:

  • To review the historical development of crystal structure analysis.
  • To evaluate the current state and challenges of computational crystal structure prediction.
  • To introduce the concept of a crystal structure landscape.

Main Methods:

  • Historical review of crystal structure determination techniques.
  • Assessment of computational methods for predicting crystal structures.
  • Analysis of crystal structure databases and their implications.

Main Results:

  • Crystal structure determination has evolved significantly with 3D diffraction patterns.
  • Computational prediction of unknown crystal structures is complex and not fully resolved.
  • Availability of extensive crystal structure data facilitates the concept of a crystal structure landscape.

Conclusions:

  • Crystal structure prediction holds substantial scientific and practical importance.
  • The field has progressed from determination to exploring vast structural possibilities.
  • Understanding the crystal structure landscape is crucial for future research.