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Related Concept Videos

Crystal Field Theory - Octahedral Complexes02:58

Crystal Field Theory - Octahedral Complexes

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...
Metallic Solids02:37

Metallic Solids

Metallic solids such as crystals of copper, aluminum, and iron are formed by metal atoms. The structure of metallic crystals is often described as a uniform distribution of atomic nuclei within a “sea” of delocalized electrons. The atoms within such a metallic solid are held together by a unique force known as metallic bonding that gives rise to many useful and varied bulk properties.
All metallic solids exhibit high thermal and electrical conductivity, metallic luster, and malleability. Many...
Crystal Growth: Principles of Crystallization01:25

Crystal Growth: Principles of Crystallization

Crystallization is a phase transformation process in which crystals are precipitated from a supersaturated solution or formed from other sources. During crystallization, atoms or molecules arrange themselves into a well-defined, rigid crystal lattice to minimize energy.
Initiating crystallization involves manipulating the concentration of the solute and the temperature of the solution. Since crystal growth occurs when the ratio of concentration and solubility of the solute in the solvent – the...
Crystal Field Theory - Tetrahedral and Square Planar Complexes02:46

Crystal Field Theory - Tetrahedral and Square Planar Complexes

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 the dxy,...
Coordination Number and Geometry02:57

Coordination Number and Geometry

For transition metal complexes, the coordination number determines the geometry around the central metal ion. Table 1 compares coordination numbers to molecular geometry. The most common structures of the complexes in coordination compounds are octahedral, tetrahedral, and square planar.
Valence Bond Theory02:42

Valence Bond Theory

Coordination compounds and complexes exhibit different colors, geometries, and magnetic behavior, depending on the metal atom/ion and ligands from which they are composed. In an attempt to explain the bonding and structure of coordination complexes, Linus Pauling proposed the valence bond theory, or VBT, using the concepts of hybridization and the overlapping of the atomic orbitals. According to VBT, the central metal atom or ion (Lewis acid) hybridizes to provide empty orbitals of suitable...

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Related Experiment Video

Updated: May 21, 2026

Ligand-Mediated Nucleation and Growth of Palladium Metal Nanoparticles
11:54

Ligand-Mediated Nucleation and Growth of Palladium Metal Nanoparticles

Published on: June 25, 2018

Nanocrystal Geometry Governs Phase Transformation Pathways in Palladium Hydride.

Daewon Lee1,2, Sam Oaks-Leaf3, Hyeonjong Ma1,4

  • 1Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States.

ACS Nano
|May 20, 2026
PubMed
Summary

Nanocrystal geometry dictates phase transformation pathways in palladium hydride (PdHx). This study reveals how shape influences crystallographic alignments, offering design principles for advanced energy storage materials.

Keywords:
Nanocrystal geometryfar-from-equilibrium dynamicskinetic Monte Carlo simulationsliquid phase transmission electron microscopynanoscale strain relaxationpalladium hydridephase transformation pathways

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Mizoroki-Heck Cross-coupling Reactions Catalyzed by Dichloro{bis[1,1',1''-(phosphinetriyl)tripiperidine]}palladium Under Mild Reaction Conditions
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Mizoroki-Heck Cross-coupling Reactions Catalyzed by Dichloro{bis[1,1',1''-(phosphinetriyl)tripiperidine]}palladium Under Mild Reaction Conditions

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Mizoroki-Heck Cross-coupling Reactions Catalyzed by Dichloro{bis[1,1',1''-(phosphinetriyl)tripiperidine]}palladium Under Mild Reaction Conditions
11:44

Mizoroki-Heck Cross-coupling Reactions Catalyzed by Dichloro{bis[1,1',1''-(phosphinetriyl)tripiperidine]}palladium Under Mild Reaction Conditions

Published on: March 20, 2014

Area of Science:

  • Materials Science
  • Nanotechnology
  • Physical Chemistry

Background:

  • Phase transformations in materials like palladium hydride (PdHx) are crucial for energy and information storage technologies.
  • Elastic energy at the interface between α-PdHx and β-PdHx phases influences transformation pathways, but the role of nanocrystal geometry is unclear.

Purpose of the Study:

  • To investigate how nanocrystal geometry affects phase transformation pathways during hydrogenation in palladium nanocrystals.
  • To understand the influence of confined geometry on the crystallographic alignment of α/β-PdHx interfaces.

Main Methods:

  • Utilized *in situ* liquid phase transmission electron microscopy to observe hydrogenation in palladium nanocubes and hexagonal nanoplates.
  • Employed theoretical simulations to explore the impact of geometry on phase transformation pathway accessibility under non-equilibrium conditions.

Main Results:

  • Observed similar transformation sequences (nucleation, interface flattening, reverse nucleation) in both nanocube and nanoplate geometries.
  • Identified geometry-dependent crystallographic alignments of α/β-PdHx interfaces: {100} in nanocubes and {110}/{211} in nanoplates.
  • Demonstrated that nanocrystal geometry controls access to alternative transformation pathways during hydrogenation.

Conclusions:

  • Nanocrystal geometry is a fundamental parameter that directs phase transformation pathways.
  • Findings provide design principles for manipulating material properties in intercalation-based devices by controlling geometry.
  • This research opens avenues for accessing atypical configurations and enhancing device performance.