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Related Concept Videos

Metallic Solids02:37

Metallic Solids

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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....
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Ionic Crystal Structures02:42

Ionic Crystal Structures

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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...
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Noncovalent Attractions in Biomolecules02:35

Noncovalent Attractions in Biomolecules

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Noncovalent attractions are associations within and between molecules that influence the shape and structural stability of complexes. These interactions differ from covalent bonding in that they do not involve sharing of electrons.
Four types of noncovalent interactions are hydrogen bonds, van der Waals forces, ionic bonds, and hydrophobic interactions.
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Crystal Field Theory - Tetrahedral and Square Planar Complexes02:46

Crystal Field Theory - Tetrahedral and Square Planar Complexes

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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,...
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Hydrogen Bonds01:04

Hydrogen Bonds

8.0K
A hydrogen bond is formed when a weakly positive hydrogen atom already bonded to one electronegative atom (for example, the oxygen in the water molecule) is attracted to another electronegative atom from another polar molecule, such as water (H2O), hydrogen fluoride (HF), or ammonia (NH3). The huge electronegativity difference between the H atom (2.1) and the atom to which it is bonded (4.0 for an F atom, 3.5 for an O atom, or 3.0 for an N atom), combined with the very small size of an H atom...
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Protein-protein Interfaces02:04

Protein-protein Interfaces

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Many proteins form complexes to carry out their functions, making protein-protein interactions (PPIs) essential for an organism's survival. Most PPIs are stabilized by numerous weak noncovalent chemical forces. The physical shape of the interfaces determines the way two proteins interact. Many globular proteins have closely-matching shapes on their surfaces, which form a large number of weak bonds. Additionally, many PPIs occur between two helices or between a surface cleft and a...
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Construction and Systematical Symmetric Studies of a Series of Supramolecular Clusters with Binary or Ternary Ammonium Triphenylacetates
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The interplay between hydrogen bonds and stacking/T-type interactions in molecular cocrystals.

Aurora J Cruz-Cabeza1, Peter R Spackman2, Amy V Hall3

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Hydrogen bonds are not the sole drivers of cocrystal formation. Stacking and T-type interactions are equally important, suggesting future crystal engineering should optimize both. This impacts molecular cocrystal design.

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Area of Science:

  • Solid-state chemistry
  • Crystallography
  • Materials science

Background:

  • Supramolecular synthons and hydrogen bonds have historically dominated cocrystal formation understanding.
  • The precise role and dominance of hydrogen bonds in molecular cocrystals require further investigation.

Purpose of the Study:

  • To analyze the relative importance of different intermolecular interactions in 1:1 two-component cocrystals.
  • To re-evaluate the traditional focus on hydrogen bonds in crystal engineering and cocrystal design.

Main Methods:

  • Extensive analysis of 1:1 two-component cocrystals within the Cambridge Structural Database.
  • Quantification and comparison of hydrogen bonding, stacking, and T-type interactions in cocrystal dimers.

Main Results:

  • Stacking and T-type interactions are as important, if not more so, than hydrogen bonds in molecular cocrystals.
  • Only 20% of analyzed cocrystal dimers solely involved strong hydrogen bonds; over 50% included stacking/T-type interactions.
  • Both hydrogen bonding and stacking/T-type interactions contribute equally to cocrystal lattice stabilization.

Conclusions:

  • Crystal engineering and cocrystal design should not exclusively focus on hydrogen bonds.
  • Future strategies must incorporate the optimization of both hydrogen bonding and stacking/T-type interactions for effective cocrystal stabilization.