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Related Concept Videos

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...
Ionic Bonding and Electron Transfer02:48

Ionic Bonding and Electron Transfer

Ions are atoms or molecules bearing an electrical charge. A cation (a positive ion) forms when a neutral atom loses one or more electrons from its valence shell, and an anion (a negative ion) forms when a neutral atom gains one or more electrons in its valence shell. Compounds composed of ions are called ionic compounds (or salts), and their constituent ions are held together by ionic bonds: electrostatic forces of attraction between oppositely charged cations and anions.
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...
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...
Ionic Crystal Structures02:42

Ionic Crystal Structures

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...
Lattice Energies of Ionic Crystals01:27

Lattice Energies of Ionic Crystals

Lattice energy represents the energy released when gaseous cations and anions combine to form an ionic solid, reflecting the strength of electrostatic interactions within the crystal. This process is fundamentally governed by Coulombic attraction between oppositely charged ions, where the potential energy varies inversely with the interionic distance and directly with the product of ionic charges. As ions approach one another, the electrostatic energy becomes increasingly negative, indicating a...

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Related Experiment Video

Updated: Jul 11, 2026

Growth and Electrostatic/chemical Properties of Metal/LaAlO3/SrTiO3 Heterostructures
11:54

Growth and Electrostatic/chemical Properties of Metal/LaAlO3/SrTiO3 Heterostructures

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Structural and electronic properties of la@c82.

K Laasonen, W Andreoni, M Parrinello

    Science (New York, N.Y.)
    |December 18, 1992
    PubMed
    Summary

    The study reveals the most stable structure for lanthanum encapsulated in a C82 fullerene cage using advanced computational methods. This finding aids in understanding fullerene properties and potential applications.

    Area of Science:

    • Computational Chemistry
    • Materials Science
    • Nanotechnology

    Background:

    • Fullerenes are allotropes of carbon with unique structural and electronic properties.
    • Lanthanum-filled fullerenes (La@C82) are of interest due to their potential applications.
    • Understanding the precise structure and electronic configuration is crucial for predicting their behavior.

    Purpose of the Study:

    • To investigate the structural and electronic properties of the La@C82 fullerene.
    • To determine the energetically preferred configuration of the lanthanum atom within the C82 cage.
    • To correlate computational findings with experimental data.

    Main Methods:

    • Car-Parrinello method based on local density approximation of density functional theory.

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    Growth and Electrostatic/chemical Properties of Metal/LaAlO3/SrTiO3 Heterostructures
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  • Relaxation of three distinct structural configurations of La@C82.
  • Analysis of electronic states and atomic charges.

    • Main Results:

    • The most energetically favorable configuration places the lanthanum atom at a low-symmetry, highly coordinated site.
    • The lanthanum atom exists in a near La(3+) oxidation state.
    • The unpaired electron is partially delocalized across the C82 cage, consistent with experimental observations.

    Conclusions:

    • The preferred structure of La@C82 has been identified through computational modeling.
    • The electronic state of lanthanum and electron delocalization provide insights into fullerene behavior.
    • Lanthanum 5s and 5p chemical shifts can serve as structural probes for La@C82 systems.