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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

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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...

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Updated: Jun 5, 2026

[(DPEPhos)(bcp)Cu]PF6: A General and Broadly Applicable Copper-Based Photoredox Catalyst

[(DPEPhos)(bcp)Cu]PF₆: A General and Broadly Applicable Copper-Based Photoredox Catalyst

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4,4'-Dimethyl-2,2'-bipyridinium dichloride.

Urs David Eckensberger¹, Hans-Wolfram Lerner, Michael Bolte

¹Institut für Anorganische Chemie, J. W. Goethe-Universität Frankfurt, Max-von-Laue-Strasse 7, 60438 Frankfurt/Main, Germany.

Acta Crystallographica. Section E, Structure Reports Online

|January 5, 2011

Summary

This study details the crystal structure of a 4,4'-dimethyl-2,2'-bipyridinium compound. The planar cation and chloride anions form hydrogen bonds in a specific crystallographic arrangement.

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Preparation and Reactivity of a Triphosphenium Bromide Salt: A Convenient and Stable Source of Phosphorus(I)

Preparation and Reactivity of a Triphosphenium Bromide Salt: A Convenient and Stable Source of Phosphorus(I)

Published on: November 22, 2016

Area of Science:

Crystallography
Supramolecular Chemistry
Organic Chemistry

Background:

Bipyridinium compounds are important in various chemical applications.
Understanding the solid-state structure is crucial for predicting material properties.

Purpose of the Study:

To elucidate the crystal structure of the title compound, 4,4 -dimethyl-2,2 -bipyridinium dichloride.
To analyze the molecular geometry and intermolecular interactions within the crystal lattice.

Main Methods:

Single-crystal X-ray diffraction was employed to determine the atomic arrangement.
Analysis of bond lengths, bond angles, and hydrogen bonding interactions.

Main Results:

The 4,4 -dimethyl-2,2 -bipyridinium cation was found to be nearly planar, with a root-mean-square deviation of 0.004 Å for non-hydrogen atoms.
The cation lies on a crystallographic inversion center.
The crystal structure is characterized by parallel planes of cations and chloride anions, linked by N-H⋯Cl and C-H⋯Cl hydrogen bonds.

Conclusions:

The study provides precise structural data for a substituted bipyridinium salt.
The identified hydrogen bonding network explains the observed crystal packing and stability.
This structural information can guide the design of new materials with tailored properties.