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Coordination Number and Geometry

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.

Valence Bond Theory

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...

Crystal Field Theory - Tetrahedral and Square Planar Complexes

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,...

Structure of Amines

Structure of Amines

The hybridized nitrogen atom in amines possesses a lone pair of electrons and is bound to three substituents with a bond angle of around 108°, which is less than the tetrahedral angle of 109.5°. However, the C–N–H bond angle is slightly larger at 112°, with a carbon–nitrogen bond length of 147 pm. This carbon–nitrogen bond length of of amines is longer than the carbon–oxygen bond of alcohols (143 pm) but shorter than alkanes’ carbon–carbon bond (154 pm). These aspects are...

Coordination Compounds and Nomenclature

Coordination Compounds and Nomenclature

In most main group element compounds, the valence electrons of the isolated atoms combine to form chemical bonds that satisfy the octet rule. For instance, the four valence electrons of carbon overlap with electrons from four hydrogen atoms to form CH4. The one valence electron leaves sodium and adds to the seven valence electrons of chlorine to form the ionic formula unit NaCl (Figure 1a). Transition metals do not normally bond in this fashion. They primarily form coordinate covalent bonds, a...

Chirality at Nitrogen, Phosphorus, and Sulfur

Chirality at Nitrogen, Phosphorus, and Sulfur

Chirality is most prevalent in carbon-based tetrahedral compounds, but this important facet of molecular symmetry extends to sp3-hybridized nitrogen, phosphorus and sulfur centers, including trivalent molecules with lone pairs. Here, the lone pair behaves as a functional group in addition to the other three substituents to form an analogous tetrahedral center that can be chiral.
A consequence of chirality is the need for enantiomeric resolution. While this is theoretically possible for all...

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Related Experiment Video

Updated: Mar 12, 2026

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

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

Published on: February 15, 2016

Planar tetracoordinate nitrogen in main-group cationic clusters.

Dumer S Sacanamboy^1,2, Viviana Roman-Ventura^1,2, Osvaldo Yañez³

¹Doctorado en Fisicoquímica Molecular, Facultad de Ciencias Exactas, Universidad Andrés Bello, Avenida República 275, Santiago 8370146, Chile.

Physical Chemistry Chemical Physics : PCCP

|March 11, 2026

Summary

This summary is machine-generated.

Researchers discovered eight new planar-tetracoordinate-nitrogen clusters, N(XE)4+. Calculations confirmed their stability but showed no global aromaticity, indicating only local magnetic properties.

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Published on: May 28, 2014

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Amide Coupling Reaction for the Synthesis of Bispyridine-based Ligands and Their Complexation to Platinum as Dinuclear Anticancer Agents

Amide Coupling Reaction for the Synthesis of Bispyridine-based Ligands and Their Complexation to Platinum as Dinuclear Anticancer Agents

Published on: May 28, 2014

Area of Science:

Computational chemistry
Inorganic chemistry
Materials science

Background:

The quest for novel chemical structures with unique electronic properties is ongoing.
Planar-tetracoordinate carbon (ptC) analogues are of significant interest in chemistry.
Nitrogen-centered clusters offer a promising avenue for exploring new bonding motifs.

Purpose of the Study:

To systematically search for and characterize new cationic clusters with planar-tetracoordinate nitrogen.
To investigate the electronic structure and magnetic properties of these novel species.
To determine the aromaticity of the discovered nitrogen clusters.

Main Methods:

Systematic computational search across a range of elements for cationic clusters N(XE)4+.
High-level ab initio calculations to determine electronic structure and stability.
Application of magnetic criteria to assess aromaticity.

Main Results:

Identification of eight new planar-tetracoordinate-nitrogen species: N(AlPo)4+, N(GaE)4+ (E = Se-Po), and N(InE)4+ (E = S-Po).
High-level calculations confirmed closed-shell minima, indicating stable structures.
Magnetic criteria revealed only local diatropicity, not global σ/π aromaticity.

Conclusions:

The study successfully synthesized and characterized eight novel planar-tetracoordinate-nitrogen clusters.
These clusters represent stable chemical species with unique structural features.
The findings rule out global aromaticity in these systems, suggesting localized electronic effects.