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Related Concept Videos

Lattice Centering and Coordination Number02:33

Lattice Centering and Coordination Number

The structure of a crystalline solid, whether a metal or not, is best described by considering its simplest repeating unit, which is referred to as its unit cell. The unit cell consists of lattice points that represent the locations of atoms or ions. The entire structure then consists of this unit cell repeating in three dimensions. The three different types of unit cells present in the cubic lattice are illustrated in Figure 1.
Types of Unit Cells
Imagine taking a large number of identical...
Coordination Number and Geometry02:57

Coordination Number and Geometry

For transition metal complexes, the coordination number determines the geometry around the central metal ion. Table 1 compares coordination numbers to molecular geometry. The most common structures of the complexes in coordination compounds are octahedral, tetrahedral, and square planar.
Interpreting ¹H NMR Signal Splitting: The (n + 1) Rule01:10

Interpreting ¹H NMR Signal Splitting: The (n + 1) Rule

In the AX proton spin system, proton A can sense the two spin states of a coupled proton X, resulting in a doublet NMR signal with two peaks of equal (1:1) intensity. When proton A is coupled to two equivalent protons (AX2 spin system), the spin states of each X can be aligned with or against the external field, creating three possible scenarios. This results in a 1:2:1  triplet signal, where the central peak corresponds to the chemical shift of A and is twice as large or intense as the others.
π Molecular Orbitals of 1,3-Butadiene01:24

π Molecular Orbitals of 1,3-Butadiene

Conjugated dienes have lower heats of hydrogenation than cumulated and isolated dienes, making them more stable. The enhanced stabilization of conjugated systems can be understood from their π molecular orbitals.
The simplest conjugated diene is 1,3-butadiene: a four-carbon system where each carbon is sp2-hybridized and has an unhybridized p orbital that contains an unpaired electron. According to molecular orbital theory, atomic orbitals combine to form molecular orbitals such that the number...
Spin–Spin Coupling: Two-Bond Coupling (Geminal Coupling)01:20

Spin–Spin Coupling: Two-Bond Coupling (Geminal Coupling)

Two NMR-active nuclei bonded to a central atom can be involved in geminal or two-bond coupling. Geminal coupling is commonly seen between diastereotopic protons in chiral molecules and unsymmetrical alkenes, among others.
The central atom need not be NMR-active because its electrons are affected by the electron polarization of the spin-active atoms. However, spin information is transmitted less effectively than in one-bond coupling, and 2J values are usually weaker than 1J values. The energy of...
¹H NMR: Complex Splitting01:13

¹H NMR: Complex Splitting

A proton M that is coupled to a proton X results in doublet signals for M. However, NMR-active nuclei can be simultaneously coupled to more than one nonequivalent nucleus. When M is coupled to a second proton A, such as in styrene oxide, each peak in the doublet is split into another doublet.
Splitting diagrams or splitting tree diagrams are routinely used to depict such complex couplings. While drawing splitting diagrams, the splitting with the larger coupling constant is usually applied first.

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Related Experiment Video

Updated: May 19, 2026

Construction and Systematical Symmetric Studies of a Series of Supramolecular Clusters with Binary or Ternary Ammonium Triphenylacetates
06:35

Construction and Systematical Symmetric Studies of a Series of Supramolecular Clusters with Binary or Ternary Ammonium Triphenylacetates

Published on: February 15, 2016

B14(2+): a magic number double-ring cluster.

Yuan Yuan1, Longjiu Cheng

  • 1School of Chemistry and Chemical Engineering, Anhui University, Hefei, Anhui 230039, China.

The Journal of Chemical Physics
|August 3, 2012
PubMed
Summary
This summary is machine-generated.

Boron clusters B(14)(2+) exhibit a stable double-ring structure, a magic number cluster with high aromaticity and a large HOMO-LUMO gap. This finding challenges previous understandings of boron cluster stability.

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Last Updated: May 19, 2026

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Area of Science:

  • Computational Chemistry
  • Materials Science
  • Quantum Chemistry

Background:

  • Boron clusters are known for their diverse structures and unique electronic properties.
  • Magic number clusters exhibit enhanced stability due to specific electron shell configurations.
  • Previous studies have explored various boron cluster structures, but double-ring configurations in smaller clusters remain less understood.

Purpose of the Study:

  • To investigate the structural, electronic, and energetic properties of boron clusters.
  • To identify novel stable structures and understand the factors contributing to their stability.
  • To explore the possibility of magic number stability in double-ring boron clusters.

Main Methods:

  • High-level ab initio calculations were employed to determine cluster geometries and energies.
  • Analysis of electronic shell closing and aromaticity was performed.
  • Comparison with existing theoretical models, such as the jellium model, was conducted.

Main Results:

  • The B(14)(2+) cluster was identified as a magic number cluster with a stable double-ring structure.
  • This double-ring B(14)(2+) exhibits the largest HOMO-LUMO gap (3.31 eV) and highest aromaticity among double-ring clusters.
  • The double-ring B(14)(2+) is energetically more favorable by ~1.2 eV compared to its quasi-planar isomer.

Conclusions:

  • The double-ring B(14)(2+) cluster represents a new stable magic number configuration.
  • Electronic shell closing, analogous to Al(13)(-), and double aromaticity contribute to its unusual stability.
  • These findings expand the understanding of structure-property relationships in boron clusters.