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Related Concept Videos

Electron Configurations02:46

Electron Configurations

Electron configurations and orbital diagrams can be determined by applying the Aufbau principle (each added electron occupies the subshell of lowest energy available), Pauli exclusion principle (no two electrons can have the same set of four quantum numbers), and Hund’s rule of maximum multiplicity (whenever possible, electrons retain unpaired spins in degenerate orbitals).
The relative energies of the subshells determine the order in which atomic orbitals are filled (1s, 2s, 2p, 3s, 3p, 4s,...
Properties of Transition Metals02:58

Properties of Transition Metals

Transition metals are defined as those elements that have partially filled d orbitals. As shown in Figure 1, the d-block elements in groups 3–12 are transition elements. The f-block elements, also called inner transition metals (the lanthanides and actinides), also meet this criterion because the d orbital is partially occupied before the f orbitals.
Aromatic Hydrocarbon Cations: Structural Overview01:18

Aromatic Hydrocarbon Cations: Structural Overview

Cycloheptatriene is a neutral monocyclic unsaturated hydrocarbon that consists of an odd number of carbon atoms and an intervening sp3 carbon in the ring. The three double bonds in the ring correspond to 6 π electrons, which is a Huckel number, and therefore satisfies the criteria of 4n + 2 π electrons. However, the intervening sp3 carbon disrupts the continuous overlap of p orbitals. As a result, cycloheptatriene is not aromatic.
Removing one hydrogen from the intervening CH2 group with both...
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...
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,...
Electron Configuration of Multielectron Atoms03:26

Electron Configuration of Multielectron Atoms

The alkali metal sodium (atomic number 11) has one more electron than the neon atom. This electron must go into the lowest-energy subshell available, the 3s orbital, giving a 1s22s22p63s1 configuration. The electrons occupying the outermost shell orbital(s) (highest value of n) are called valence electrons, and those occupying the inner shell orbitals are called core electrons. Since the core electron shells correspond to noble gas electron configurations, we can abbreviate electron...

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Updated: Jun 23, 2026

Synthesis and Reaction Chemistry of Nanosize Monosodium Titanate
08:44

Synthesis and Reaction Chemistry of Nanosize Monosodium Titanate

Published on: February 23, 2016

Titanium oxide fullerenes: electronic structure and basic trends in their stability.

Andrey N Enyashin1, Gotthard Seifert

  • 1Physikalische Chemie, Technische Universität Dresden, D-01062 Dresden, Germany. Enyashin@ihim.uram.ru

Physical Chemistry Chemical Physics : PCCP
|May 26, 2009
PubMed
Summary
This summary is machine-generated.

The stability of titania fullerenes, a type of inorganic fullerene, was investigated. Their electronic structure and size significantly influence their stability.

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Area of Science:

  • Materials Science
  • Computational Chemistry
  • Nanotechnology

Background:

  • Inorganic fullerenes represent a novel class of nanomaterials.
  • Titania fullerenes, featuring octahedral metal coordination, are of particular interest.
  • Understanding their stability is crucial for potential applications.

Purpose of the Study:

  • To investigate the stability of titania fullerenes.
  • To determine the influence of size and electronic structure on stability.
  • To provide insights into the behavior of inorganic fullerenes.

Main Methods:

  • Utilized the quantum-mechanical Density-Functional Tight-Binding (DFTB) method.
  • Performed theoretical calculations to model titania fullerene structures.
  • Analyzed stability as a function of size and electronic properties.

Main Results:

  • Stability is demonstrably dependent on the size of the titania fullerene.
  • Electronic structure plays a critical role in determining fullerene stability.
  • Specific structural and electronic configurations were identified as more stable.

Conclusions:

  • Titania fullerene stability is a complex interplay of size and electronic factors.
  • The DFTB method provides valuable insights into inorganic fullerene behavior.
  • This study lays the groundwork for designing stable inorganic fullerene structures.