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Related Concept Videos

Structures of Solids02:22

Structures of Solids

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...
Molecular and Ionic Solids02:54

Molecular and Ionic Solids

Crystalline solids are divided into four types: molecular, ionic, metallic, and covalent network based on the type of constituent units and their interparticle interactions.
Molecular Solids
Molecular crystalline solids, such as ice, sucrose (table sugar), and iodine, are solids that are composed of neutral molecules as their constituent units. These molecules are held together by weak intermolecular forces such as London dispersion forces, dipole-dipole interactions, or hydrogen bonds, which...
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...
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...
Structural Isomerism02:34

Structural Isomerism

Isomerism in Complexes
Isomers are different chemical species that have the same chemical formula. Structural isomerism of coordination compounds can be divided into two subcategories, the linkage isomers and coordination-sphere isomers.
Linkage isomers occur when the coordination compound contains a ligand that can bind to the transition metal center through two different atoms. For example, the CN− ligand can bind through the carbon atom or through the nitrogen atom. Similarly, SCN− can be...
Unit Cells01:18

Unit Cells

A crystal's internal structure is an orderly array of atoms, ions, or molecules, and the details of this array significantly influence the solid's properties. In a crystal, periodically repeating 'structural motifs' - which could be atoms, molecules, or groups thereof - create a 'space lattice.' This is essentially a three-dimensional, infinite array of points, each surrounded by its neighbors in an identical way, forming the basic structure of the crystal.A 'unit cell' is a theoretical...

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Solid memory: structural preferences in group 2 dihalide monomers, dimers, and solids.

Kelling J Donald1, Roald Hoffmann

  • 1Department of Chemistry and Chemical Biology, Baker Laboratory, Cornell University, Ithaca, New York 14853, USA.

Journal of the American Chemical Society
|August 24, 2006
PubMed
Summary
This summary is machine-generated.

Structural preferences in group 2 dihalide monomers and dimers strongly influence their solid-state structures. Bent monomers form high-coordination solids, while linear monomers yield low-coordination solids.

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Area of Science:

  • Inorganic Chemistry
  • Solid-State Chemistry
  • Computational Chemistry

Background:

  • Group 2 dihalides (MX(2)) exhibit diverse structural behaviors in gas-phase monomers, dimers, and solid states.
  • Understanding the relationship between small-molecule geometry and bulk solid properties is crucial for materials design.

Purpose of the Study:

  • To theoretically investigate the connection between structural preferences of group 2 dihalide monomers, dimers, and their resulting solid-state structures.
  • To determine how well gas-phase geometric properties are retained in the condensed solid phase.

Main Methods:

  • Theoretical examination of structural preferences in group 2 dihalide monomers (MX(2)) and dimers (M(2)X(4)).
  • Utilizing B3LYP computational level to analyze monomer and dimer geometries.
  • Exploring frontier orbital interactions to understand monomer-oligomer relationships.

Main Results:

  • A clear link exists between monomer bending and dimer structure: bent monomers favor C(3)(v) (triply bridged) dimers, while linear monomers prefer D(2)(h) (doubly bridged) dimers.
  • Monomer flexibility influences dimer preference, with floppy monomers showing weak preferences.
  • Structural trends in monomers and dimers correlate with solid-state structure types.

Conclusions:

  • Highly bent monomers lead to high coordination number solids (e.g., fluorite, PbCl(2) structures).
  • Rigidly linear monomers condense into low coordination number solids (coordination numbers 4 or 6).
  • The study elucidates the fundamental reasons behind these structure-property correlations in group 2 dihalides.