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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...
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...
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,...
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...
Determination of Crystal Structures01:29

Determination of Crystal Structures

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...
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...

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3D Modeling of Dendritic Spines with Synaptic Plasticity
07:13

3D Modeling of Dendritic Spines with Synaptic Plasticity

Published on: May 18, 2020

Engineering crystals of dendritic molecules.

Oleg Lukin1, Dirk Schubert, Claudia M Müller

  • 1Institute of Polymers, Department of Materials, HCI G527, and Organic Chemistry Laboratory, HCI G301, Eidgenössische Technische Hochschule, 8093 Zurich, Switzerland. o.lukin@ukrorgsynth.com

Proceedings of the National Academy of Sciences of the United States of America
|June 25, 2009
PubMed
Summary

Researchers studied sulfonimide-based dendritic molecules using X-ray crystallography. They discovered a consistent intermolecular interaction mode in second-generation branches, predictable with quantum chemical calculations.

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3D Modeling of Dendritic Spines with Synaptic Plasticity
07:13

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Microcrystal Electron Diffraction of Small Molecules
09:48

Microcrystal Electron Diffraction of Small Molecules

Published on: March 15, 2021

Analyzing Dendritic Morphology in Columns and Layers
08:41

Analyzing Dendritic Morphology in Columns and Layers

Published on: March 23, 2017

Area of Science:

  • Supramolecular Chemistry
  • Crystallography
  • Computational Chemistry

Background:

  • Sulfonimide-based dendritic molecules offer tunable architectures.
  • Understanding intermolecular interactions is crucial for crystal engineering.

Purpose of the Study:

  • To investigate the crystal packing of sulfonimide-based dendrimers with varied architectures.
  • To identify recurring intermolecular interaction modes.
  • To correlate crystal packing with computational predictions.

Main Methods:

  • Single-crystal X-ray diffraction analysis of thirteen sulfonimide-based dendritic molecules.
  • Systematic variation of molecular architecture and peripheral aryl groups.
  • Quantum chemical calculations of molecule-molecule interaction energies.

Main Results:

  • Detailed crystal structures of first and second-generation sulfonimide dendrimers were determined.
  • A reproducible 'anchor-type' packing of complementary second-generation branches was observed.
  • This packing mode tolerates diverse substituents on peripheral aryl rings.
  • Computational calculations qualitatively supported the observed packing preferences.

Conclusions:

  • Sulfonimide dendrimers exhibit predictable intermolecular interactions in the solid state.
  • Quantum chemical calculations can guide the design of dendrimers for controlled crystal packing.
  • This work provides insights into crystal engineering of dendritic materials.