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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...

Valence Bond Theory

Valence Bond Theory

Overview of Valence Bond Theory

Metal-Ligand Bonds

Metal-Ligand Bonds

The hemoglobin in the blood, the chlorophyll in green plants, vitamin B-12, and the catalyst used in the manufacture of polyethylene all contain coordination compounds. Ions of the metals, especially the transition metals, are likely to form complexes.
In these complexes, transition metals form coordinate covalent bonds, a kind of Lewis acid-base interaction in which both of the electrons in the bond are contributed by a donor (Lewis base) to an electron acceptor (Lewis acid). The Lewis acid in...

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.

Complexation Equilibria: Overview

Complexation Equilibria: Overview

Complexation reactions take place when dative or coordinate covalent bonds form between metal ions and ligands. The compounds formed in these reactions are called coordination compounds. The number of bonds formed between the metal ion and the ligands is called its coordination number. Generally, most metal ions in an aqueous solution are solvated by water molecules and thus exist as aqua complexes.
The equilibrium constant of the complexation reaction is represented as the formation constant...

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...

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Related Experiment Video

Updated: Jun 13, 2026

Determination of Protein-ligand Interactions Using Differential Scanning Fluorimetry

Determination of Protein-ligand Interactions Using Differential Scanning Fluorimetry

Published on: September 13, 2014

Ligand association/dissociation paths and ill-defined coordination numbers.

Antonio Ruiz-Martínez¹, David Casanova, Santiago Alvarez

¹Departament de Química Inorgànica and Institut de Química Teòrica i Computacional, Universitat de Barcelona, Martí i Franquès 1-11, 08028 Barcelona, Spain.

Chemistry (Weinheim an Der Bergstrasse, Germany)

|April 24, 2010

Summary

The continuous shape measures approach offers a flexible way to describe metal coordination spheres, especially when coordination numbers are unclear due to secondary interactions. This method provides a more precise stereochemical description than traditional integer coordination numbers.

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Area of Science:

Inorganic Chemistry
Crystallography
Computational Chemistry

Background:

Metal atoms often exhibit ill-defined coordination numbers due to secondary interactions.
Traditional integer coordination numbers and polyhedral shapes can be imprecise for these cases.

Purpose of the Study:

To introduce and apply the continuous shape measures approach for handling ill-defined coordination numbers.
To provide a more flexible and precise stereochemical description of metal coordination environments.

Main Methods:

Systematic analysis of ligand association/dissociation pathways.
Application of continuous shape measures to specific molecular and extended solid cases.

Main Results:

The continuous shape measures approach effectively handles metal atoms with ambiguous coordination.
Demonstrated application to various chemical structures, including molecules and extended solids.
Offers a more nuanced stereochemical description compared to integer coordination numbers.

Conclusions:

The continuous shape measures approach is a valuable tool for accurately describing complex metal coordination spheres.
This methodology enhances the understanding of ligand interactions and stereochemistry in inorganic compounds and materials.