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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,...
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...
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...
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...
VSEPR Theory and the Basic Shapes02:52

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Overview of VSEPR Theory
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,...

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Updated: May 14, 2026

Combining Solid-state and Solution-based Techniques: Synthesis and Reactivity of Chalcogenidoplumbates(II or IV)
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Electronic structure of α-SrB4O7: experiment and theory.

V V Atuchin1, V G Kesler, A I Zaitsev

  • 1Laboratory of Optical Materials and Structures, Institute of Semiconductor Physics, SB RAS, Novosibirsk 90, 630090, Russia.

Journal of Physics. Condensed Matter : an Institute of Physics Journal
|January 25, 2013
PubMed
Summary
This summary is machine-generated.

X-ray photoemission spectroscopy revealed the electronic structure of strontium tetraborate (α-SrB(4)O(7)). Calculations showed the band structure is minimally influenced by strontium, offering insights into its electronic properties.

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Area of Science:

  • Solid State Physics
  • Materials Science
  • Quantum Chemistry

Background:

  • Understanding the electronic properties of materials like strontium tetraborate (α-SrB(4)O(7)) is crucial for their technological applications.
  • Detailed knowledge of valence band structure and core level electronic parameters informs material design and predicts behavior.

Purpose of the Study:

  • To investigate the valence band structure and electronic parameters of α-SrB(4)O(7) using experimental and theoretical methods.
  • To compare ab initio calculations of the band structure with X-ray Photoemission Spectroscopy (XPS) measurements.

Main Methods:

  • Growth of optical-quality α-SrB(4)O(7) crystals using the Czochralski method.
  • X-ray Photoemission Spectroscopy (XPS) using nonmonochromatic Al Kα radiation (1486.6 eV) to analyze element core levels.
  • Ab initio calculations to determine the electronic band structure.

Main Results:

  • Detailed photoemission spectra of element core levels were obtained from powder samples.
  • The calculated band structure of α-SrB(4)O(7) was compared with XPS experimental data.
  • The electronic band structure was found to be weakly dependent on strontium-related states.

Conclusions:

  • The study successfully characterized the electronic structure of α-SrB(4)O(7).
  • Experimental XPS data aligns with theoretical ab initio calculations, validating the findings.
  • The limited influence of Sr states on the band structure provides key insights into the electronic behavior of α-SrB(4)O(7).